5-Bromothiophene-2-sulfonamide

Cat. No.: PI53595656

Product Details Other Identifiers Computed Properties

CAS	53595-65-6
Purity	97%
Molecular Formula	C4H4BrNO2S2
Molecular Weight	242.11
Molar Refractivity	43.01

Pubchem ID	1241304
InChI Key	WXJQQLDICAOBJB-UHFFFAOYSA-N
MDL Number	MFCD00067990

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	1
Topological Polar Surface Area	96.78 Å²
Heavy Atom Count	10
Aromatic Heavy Atoms Number	5
Fraction Csp3	0.0
Log Po/w (iLOGP)	0.8
Log Po/w (XLOGP3)	1.24
Log Po/w (WLOGP)	2.24
Log Po/w (MLOGP)	0.01
Log Po/w (SILICOS-IT)	1.55
Consensus Log Po/w	1.17
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.9 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.91

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