4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide

C12H18ClNO3S — CID 21078717

IUPAC4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(C)(C)C(CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO3S/c1-12(2,3)11(8-15)14-18(16,17)10-6-4-9(13)5-7-10/h4-7,11,14-15H,8H2,1-3H3
InChIKeyGAVZPZUJCRTQNY-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.03
Rot. Bonds4

About 4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide

4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide (PubChem CID 21078717) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide
PubChem CID21078717
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Name4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(C)(C)C(CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO3S/c1-12(2,3)11(8-15)14-18(16,17)10-6-4-9(13)5-7-10/h4-7,11,14-15H,8H2,1-3H3
InChIKeyGAVZPZUJCRTQNY-UHFFFAOYSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24786515
2,4,5-trichloro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzenesulfonamide
CID 10406247
3,4-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 75431301
4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzenesulfonamide
CID 3745238
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide
CID 106357500
4-(bromomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106353477
(3R)-3-[(4-chlorophenyl)sulfonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 90891648
[2-(methylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841754
4-chloro-N-(5-fluoro-5-methyl-2-oxohexan-3-yl)benzenesulfonamide
CID 59000938
4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 114178076

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide (CID 21078717) is 4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide is CC(C)(C)C(CO)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide?
The InChIKey is GAVZPZUJCRTQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-12(2,3)11(8-15)14-18(16,17)10-6-4-9(13)5-7-10/h4-7,11,14-15H,8H2,1-3H3.
What are the key properties of 4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide?
4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 21078717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).