3-(benzenesulfonyl)propan-1-ol

C9H12O3S — CID 11106367

IUPAC3-(benzenesulfonyl)propan-1-ol
SMILESO=S(=O)(CCCO)c1ccccc1
InChIInChI=1S/C9H12O3S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyVUGYEHRXNLUETF-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.84
Rot. Bonds4

About 3-(benzenesulfonyl)propan-1-ol

3-(benzenesulfonyl)propan-1-ol (PubChem CID 11106367) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-(benzenesulfonyl)propan-1-ol.

Molecular Properties

Compound Name3-(benzenesulfonyl)propan-1-ol
PubChem CID11106367
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name3-(benzenesulfonyl)propan-1-ol
SMILESO=S(=O)(CCCO)c1ccccc1
InChIInChI=1S/C9H12O3S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyVUGYEHRXNLUETF-UHFFFAOYSA-N
XLogP0.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl vinyl sulfone
CID 79664
(Ethylsulphonyl)benzene
CID 69032
2-(Phenylthio)ethanol
CID 69685
(Phenylsulfonyl)acetic acid
CID 59543
Butyl phenyl sulfone
CID 238507
4-[(2-Hydroxyethyl)sulfanyl]benzenesulfonamide
CID 4269754
1-(Phenylthio)-2-propanol
CID 99788
((1-Methylethyl)sulfonyl)benzene
CID 199476
Methoxymethyl Phenyl Sulfone
CID 366072
3-(Benzenesulfonyl)propanoic acid
CID 555252
Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)propan-1-ol?
The IUPAC name of 3-(benzenesulfonyl)propan-1-ol (CID 11106367) is 3-(benzenesulfonyl)propan-1-ol.
What is the SMILES notation for 3-(benzenesulfonyl)propan-1-ol?
The canonical SMILES for 3-(benzenesulfonyl)propan-1-ol is O=S(=O)(CCCO)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)propan-1-ol?
The InChIKey is VUGYEHRXNLUETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2.
What are the key properties of 3-(benzenesulfonyl)propan-1-ol?
3-(benzenesulfonyl)propan-1-ol has a molecular weight of 200.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)propan-1-ol is sourced from PubChem (CID 11106367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).