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

C11H15ClO3S — CID 106584897

IUPAC1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
SMILESCC(C)C(O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO3S/c1-8(2)11(13)7-16(14,15)10-5-3-9(12)4-6-10/h3-6,8,11,13H,7H2,1-2H3
InChIKeyVQDYNXSWRVAOPX-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.13
Rot. Bonds4

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

1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol (PubChem CID 106584897) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
PubChem CID106584897
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
SMILESCC(C)C(O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO3S/c1-8(2)11(13)7-16(14,15)10-5-3-9(12)4-6-10/h3-6,8,11,13H,7H2,1-2H3
InChIKeyVQDYNXSWRVAOPX-UHFFFAOYSA-N
XLogP2.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-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

(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
ethyl 3-(4-chlorophenyl)sulfonyl-2-hydroxypropanoate
CID 22086033
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
1-(3-chlorophenyl)sulfonyl-3-methylpentan-2-ol
CID 106585027
1-(4-chlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
CID 115476465
2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol
CID 106584901
(1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol
CID 7085860
2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol
CID 106584920
3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine
CID 64697562
(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
CID 6976973
(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol
CID 6976971
(2R)-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-methylbutanoic acid
CID 119369259

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol (CID 106584897) is 1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol is CC(C)C(O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol?
The InChIKey is VQDYNXSWRVAOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-8(2)11(13)7-16(14,15)10-5-3-9(12)4-6-10/h3-6,8,11,13H,7H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol?
1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol has a molecular weight of 262.76 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol is sourced from PubChem (CID 106584897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).