Sulfanitran

Name: Sulfanitran
SKU: PI122167
Rating: 5 (1 reviews)

Cat. No.: PI122167

Product Details Other Identifiers Computed Properties

CAS	122-16-7
Synonyms	N-(4-(N-(4-nitrophenyl)sulfamoyl)phenyl)acetamide
Purity	98%
Molecular Formula	C14H13N3O5S
Molecular Weight	335.34
Molar Refractivity	86.69

Pubchem ID	5334
InChI Key	GWBPFRGXNGPPMF-UHFFFAOYSA-N
MDL Number	MFCD00024598

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	6
Topological Polar Surface Area	129.47 Å²
Heavy Atom Count	23
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.07
Log Po/w (iLOGP)	1.39
Log Po/w (XLOGP3)	2.0
Log Po/w (WLOGP)	3.05
Log Po/w (MLOGP)	0.72
Log Po/w (SILICOS-IT)	-1.01
Consensus Log Po/w	1.23
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.93 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.53

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