4-(benzenesulfonyl)butan-2-ol

C10H14O3S — CID 10943848

IUPAC4-(benzenesulfonyl)butan-2-ol
SMILESCC(O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O3S/c1-9(11)7-8-14(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyQRGSWGGNZHJIFJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.23
Rot. Bonds4

About 4-(benzenesulfonyl)butan-2-ol

4-(benzenesulfonyl)butan-2-ol (PubChem CID 10943848) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(benzenesulfonyl)butan-2-ol.

Molecular Properties

Compound Name4-(benzenesulfonyl)butan-2-ol
PubChem CID10943848
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name4-(benzenesulfonyl)butan-2-ol
SMILESCC(O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O3S/c1-9(11)7-8-14(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyQRGSWGGNZHJIFJ-UHFFFAOYSA-N
XLogP1.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(benzenesulfonyl)butan-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

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)butan-2-ol?
The IUPAC name of 4-(benzenesulfonyl)butan-2-ol (CID 10943848) is 4-(benzenesulfonyl)butan-2-ol.
What is the SMILES notation for 4-(benzenesulfonyl)butan-2-ol?
The canonical SMILES for 4-(benzenesulfonyl)butan-2-ol is CC(O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)butan-2-ol?
The InChIKey is QRGSWGGNZHJIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-9(11)7-8-14(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 4-(benzenesulfonyl)butan-2-ol?
4-(benzenesulfonyl)butan-2-ol has a molecular weight of 214.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)butan-2-ol is sourced from PubChem (CID 10943848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).