4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol

C11H15ClO3S — CID 71317728

IUPAC4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
SMILESCC(CCO)CS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H15ClO3S/c1-9(6-7-13)8-16(14,15)11-5-3-2-4-10(11)12/h2-5,9,13H,6-8H2,1H3
InChIKeyKMSJNVGWMSNEQN-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.13
Rot. Bonds5

About 4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol

4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol (PubChem CID 71317728) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
PubChem CID71317728
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
SMILESCC(CCO)CS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H15ClO3S/c1-9(6-7-13)8-16(14,15)11-5-3-2-4-10(11)12/h2-5,9,13H,6-8H2,1H3
InChIKeyKMSJNVGWMSNEQN-UHFFFAOYSA-N
XLogP2.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol 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

4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
1-(2-chlorophenyl)sulfonyl-3-methoxypropan-2-ol
CID 107508912
2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 65442832
2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol
CID 106585088
(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 69383125
2-(2-chlorophenyl)sulfonyl-1-(4-methylphenyl)ethanol
CID 106585066
1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-2-chlorobenzene
CID 64757505
2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 64583138
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
2-chloro-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523486
2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine
CID 104753824

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol (CID 71317728) is 4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol is CC(CCO)CS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol?
The InChIKey is KMSJNVGWMSNEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-9(6-7-13)8-16(14,15)11-5-3-2-4-10(11)12/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol?
4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol has a molecular weight of 262.76 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol is sourced from PubChem (CID 71317728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).