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

C11H15ClO3S — CID 139004687

IUPAC4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H15ClO3S/c1-11(2,13)7-8-16(14,15)10-6-4-3-5-9(10)12/h3-6,13H,7-8H2,1-2H3
InChIKeyPUSRYZXWHJURBQ-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.27
Rot. Bonds4

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

4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol (PubChem CID 139004687) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol
PubChem CID139004687
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H15ClO3S/c1-11(2,13)7-8-16(14,15)10-6-4-3-5-9(10)12/h3-6,13H,7-8H2,1-2H3
InChIKeyPUSRYZXWHJURBQ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714731
6-(2-chlorophenyl)sulfonylhexan-3-one
CID 106807675
methyl 4-(2-chlorophenyl)sulfonylbutanoate
CID 43378385
2,4-dichloro-5-(3-hydroxy-3-methylbutyl)sulfonylbenzoic acid
CID 79354760
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387781
N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride
CID 56978110
2-(2-chlorophenyl)sulfonylethyl formate
CID 19697051
2-(2-chlorophenyl)sulfonylacetamide
CID 13345372
2,5-dichloro-3-(3-hydroxy-3-methylbutyl)sulfonylbenzoic acid
CID 79356123
1-(3-azidopropylsulfonyl)-2-chlorobenzene
CID 55138385
4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
CID 71317728
(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane
CID 130493433

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol (CID 139004687) is 4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol is CC(C)(O)CCS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol?
The InChIKey is PUSRYZXWHJURBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-11(2,13)7-8-16(14,15)10-6-4-3-5-9(10)12/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol?
4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol has a molecular weight of 262.76 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol is sourced from PubChem (CID 139004687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).