N-[(1S)-2-Hydroxy-1-methylethyl]-2-nitrobenzenesulfonamide

Cat. No.: PI1351395668

Product Details Other Identifiers Computed Properties

CAS	1351395-66-8
Purity	95%
Molecular Formula	C9H12N2O5S
Molecular Weight	260.27
Molar Refractivity	61.94

Pubchem ID	65808792
InChI Key	FDFFWQKRBIFMNE-ZETCQYMHSA-N
MDL Number	MFCD21064871

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	5
Topological Polar Surface Area	120.6 Å²
Heavy Atom Count	17
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.33
Log Po/w (iLOGP)	0.82
Log Po/w (XLOGP3)	0.49
Log Po/w (WLOGP)	1.33
Log Po/w (MLOGP)	-0.54
Log Po/w (SILICOS-IT)	-1.81
Consensus Log Po/w	0.06
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.54 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	3.05

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