2-(benzenesulfonyl)propan-1-ol

C9H12O3S — CID 11790214

IUPAC2-(benzenesulfonyl)propan-1-ol
SMILESCC(CO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H12O3S/c1-8(7-10)13(11,12)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyWOAWFZJIMGCSJQ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.84
Rot. Bonds3

About 2-(benzenesulfonyl)propan-1-ol

2-(benzenesulfonyl)propan-1-ol (PubChem CID 11790214) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(benzenesulfonyl)propan-1-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)propan-1-ol
PubChem CID11790214
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name2-(benzenesulfonyl)propan-1-ol
SMILESCC(CO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H12O3S/c1-8(7-10)13(11,12)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyWOAWFZJIMGCSJQ-UHFFFAOYSA-N
XLogP0.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)propan-1-ol?
The IUPAC name of 2-(benzenesulfonyl)propan-1-ol (CID 11790214) is 2-(benzenesulfonyl)propan-1-ol.
What is the SMILES notation for 2-(benzenesulfonyl)propan-1-ol?
The canonical SMILES for 2-(benzenesulfonyl)propan-1-ol is CC(CO)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)propan-1-ol?
The InChIKey is WOAWFZJIMGCSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-8(7-10)13(11,12)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3.
What are the key properties of 2-(benzenesulfonyl)propan-1-ol?
2-(benzenesulfonyl)propan-1-ol has a molecular weight of 200.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)propan-1-ol is sourced from PubChem (CID 11790214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).