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

C10H14O3S — CID 155934407

IUPAC(2S)-2-(benzenesulfonyl)butan-1-ol
SMILESCC[C@@H](CO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O3S/c1-2-9(8-11)14(12,13)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3/t9-/m0/s1
InChIKeyFPIWXGYFFQNKBV-VIFPVBQESA-N
MW214.29 g/mol
LogP1.23
Rot. Bonds4

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

(2S)-2-(benzenesulfonyl)butan-1-ol (PubChem CID 155934407) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonyl)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonyl)butan-1-ol
PubChem CID155934407
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name(2S)-2-(benzenesulfonyl)butan-1-ol
SMILESCC[C@@H](CO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O3S/c1-2-9(8-11)14(12,13)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3/t9-/m0/s1
InChIKeyFPIWXGYFFQNKBV-VIFPVBQESA-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

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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 (2S)-2-(benzenesulfonyl)butan-1-ol?
The IUPAC name of (2S)-2-(benzenesulfonyl)butan-1-ol (CID 155934407) is (2S)-2-(benzenesulfonyl)butan-1-ol.
What is the SMILES notation for (2S)-2-(benzenesulfonyl)butan-1-ol?
The canonical SMILES for (2S)-2-(benzenesulfonyl)butan-1-ol is CC[C@@H](CO)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonyl)butan-1-ol?
The InChIKey is FPIWXGYFFQNKBV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14O3S/c1-2-9(8-11)14(12,13)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonyl)butan-1-ol?
(2S)-2-(benzenesulfonyl)butan-1-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 (2S)-2-(benzenesulfonyl)butan-1-ol is sourced from PubChem (CID 155934407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).