(2S)-1-(benzenesulfonyl)propan-2-ol

C9H12O3S — CID 11127286

IUPAC(2S)-1-(benzenesulfonyl)propan-2-ol
SMILESC[C@H](O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H12O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1
InChIKeyADGDGIOFSAGJEX-QMMMGPOBSA-N
MW200.26 g/mol
LogP0.84
Rot. Bonds3

About (2S)-1-(benzenesulfonyl)propan-2-ol

(2S)-1-(benzenesulfonyl)propan-2-ol (PubChem CID 11127286) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)propan-2-ol
PubChem CID11127286
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name(2S)-1-(benzenesulfonyl)propan-2-ol
SMILESC[C@H](O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H12O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1
InChIKeyADGDGIOFSAGJEX-QMMMGPOBSA-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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Related Compounds

3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
1-(benzenesulfonyl)propan-2-amine
CID 62917209
4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
1-(benzenesulfonyl)-3-(propan-2-ylamino)propan-2-ol
CID 113317915
3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
1-(benzenesulfonyl)-3-methoxypropan-2-ol
CID 107508907
1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol
CID 174823491
benzenesulfonic acid;pentane-2,4-diol
CID 88719615
(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol
CID 6976995
4-(benzenesulfonyl)-3-methylbutan-1-amine
CID 115036309
(2R,3R,4S,5S,6S)-1-(benzenesulfonyl)-2,4,6-trimethyloct-7-ene-3,5-diol
CID 130360522

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)propan-2-ol?
The IUPAC name of (2S)-1-(benzenesulfonyl)propan-2-ol (CID 11127286) is (2S)-1-(benzenesulfonyl)propan-2-ol.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)propan-2-ol?
The canonical SMILES for (2S)-1-(benzenesulfonyl)propan-2-ol is C[C@H](O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)propan-2-ol?
The InChIKey is ADGDGIOFSAGJEX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)propan-2-ol?
(2S)-1-(benzenesulfonyl)propan-2-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 (2S)-1-(benzenesulfonyl)propan-2-ol is sourced from PubChem (CID 11127286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).