(2R)-4-(benzenesulfonyl)butane-1,2-diol

C10H14O4S — CID 11183823

IUPAC(2R)-4-(benzenesulfonyl)butane-1,2-diol
SMILESO=S(=O)(CC[C@@H](O)CO)c1ccccc1
InChIInChI=1S/C10H14O4S/c11-8-9(12)6-7-15(13,14)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2/t9-/m1/s1
InChIKeyXFZFWSREITWFDD-SECBINFHSA-N
MW230.29 g/mol
LogP0.20
Rot. Bonds5

About (2R)-4-(benzenesulfonyl)butane-1,2-diol

(2R)-4-(benzenesulfonyl)butane-1,2-diol (PubChem CID 11183823) has the molecular formula C10H14O4S and a molecular weight of 230.29 g/mol. Its IUPAC name is (2R)-4-(benzenesulfonyl)butane-1,2-diol.

Molecular Properties

Compound Name(2R)-4-(benzenesulfonyl)butane-1,2-diol
PubChem CID11183823
Molecular FormulaC10H14O4S
Molecular Weight230.29 g/mol
Exact Mass230.06
IUPAC Name(2R)-4-(benzenesulfonyl)butane-1,2-diol
SMILESO=S(=O)(CC[C@@H](O)CO)c1ccccc1
InChIInChI=1S/C10H14O4S/c11-8-9(12)6-7-15(13,14)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2/t9-/m1/s1
InChIKeyXFZFWSREITWFDD-SECBINFHSA-N
XLogP0.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Phenylthio)-2-propanol
CID 99788
4-(3-Hydroxypropane-1-sulfonyl)benzene-1-sulfonamide
CID 13960359
3-(Phenylthio)-1,2-propanediol
CID 21231
2-(Phenylsulfonyl)ethanol
CID 30202
4-[(4-Hydroxybutyl)sulfanyl]benzene-1-sulfonamide
CID 15707346
4-[(4-Hydroxybutyl)sulfonyl]benzenesulfonamide
CID 15707348
3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
CID 115623
2-(2-(Phenylsulfonyl)ethyl)oxirane
CID 11356304
1-(Phenylsulfonyl)cyclopropan-1-ol
CID 24799052
10-(Benzenesulfonyl)deca-2,8-diyn-1-ol
CID 10062817
2-[(Phenylsulfonyl)methyl]oxirane
CID 11356071
4-(2,3-Dihydroxypropylsulfonyl)benzenesulfonamide
CID 13960358

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(benzenesulfonyl)butane-1,2-diol?
The IUPAC name of (2R)-4-(benzenesulfonyl)butane-1,2-diol (CID 11183823) is (2R)-4-(benzenesulfonyl)butane-1,2-diol.
What is the SMILES notation for (2R)-4-(benzenesulfonyl)butane-1,2-diol?
The canonical SMILES for (2R)-4-(benzenesulfonyl)butane-1,2-diol is O=S(=O)(CC[C@@H](O)CO)c1ccccc1.
What is the InChIKey of (2R)-4-(benzenesulfonyl)butane-1,2-diol?
The InChIKey is XFZFWSREITWFDD-SECBINFHSA-N. The full InChI is InChI=1S/C10H14O4S/c11-8-9(12)6-7-15(13,14)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2/t9-/m1/s1.
What are the key properties of (2R)-4-(benzenesulfonyl)butane-1,2-diol?
(2R)-4-(benzenesulfonyl)butane-1,2-diol has a molecular weight of 230.29 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(benzenesulfonyl)butane-1,2-diol is sourced from PubChem (CID 11183823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).