Pyridine-3-sulfonyl chloride hydrochloride

Name: Pyridine-3-sulfonyl chloride hydrochloride
SKU: PI42899763
Rating: 5 (1 reviews)

Catalog NumberPI42899763

CAS Number42899-76-3

CategoryGastrointestinal Agents Intermediates

Pyridine-3-sulfonyl chloride hydrochloride

Product Details

Purity	95%
Molecular Formula	C5H5Cl2NO2S
Molecular Weight	214.07
Molar Refractivity	44.29

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Other Identifiers

Pubchem ID	12571517
InChI Key	VIVPWOMJFLICOZ-UHFFFAOYSA-N
MDL Number	MFCD04035552

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.16
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.0
Ghose	None
GI Absorption	High
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.35 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	0.24
Log Po/w (SILICOS-IT)	0.91
Log Po/w (WLOGP)	2.89
Log Po/w (XLOGP3)	1.77
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.85
Topological Polar Surface Area	55.41 Å²
Veber	0.0

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