2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide

C9H13NO4S2 — CID 79682078

IUPAC2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1SCC(O)CO
InChIInChI=1S/C9H13NO4S2/c10-16(13,14)9-4-2-1-3-8(9)15-6-7(12)5-11/h1-4,7,11-12H,5-6H2,(H2,10,13,14)
InChIKeyNNAWKDAEQPOWRN-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.22
Rot. Bonds5

About 2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide

2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide (PubChem CID 79682078) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide
PubChem CID79682078
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1SCC(O)CO
InChIInChI=1S/C9H13NO4S2/c10-16(13,14)9-4-2-1-3-8(9)15-6-7(12)5-11/h1-4,7,11-12H,5-6H2,(H2,10,13,14)
InChIKeyNNAWKDAEQPOWRN-UHFFFAOYSA-N
XLogP-0.22
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 66112944
2-(2-aminoethylsulfanyl)benzenesulfonamide
CID 154389901
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide
CID 79682606
3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol
CID 103960852
3-[2-(difluoromethylsulfonyl)phenyl]sulfanyl-2-methylpropan-1-ol
CID 66104428
2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzenesulfonamide
CID 66104210
2-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 167679845
2-sulfanylbenzenesulfonamide
CID 11041532
2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide
CID 86115167
methyl 2-methyl-3-(2-methylsulfonylphenyl)sulfanylpropanoate
CID 66114446
2-(2-bromophenyl)sulfanylbenzenesulfonamide
CID 15561583

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide?
The IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide (CID 79682078) is 2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide?
The canonical SMILES for 2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide is NS(=O)(=O)c1ccccc1SCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide?
The InChIKey is NNAWKDAEQPOWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c10-16(13,14)9-4-2-1-3-8(9)15-6-7(12)5-11/h1-4,7,11-12H,5-6H2,(H2,10,13,14).
What are the key properties of 2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide?
2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide has a molecular weight of 263.34 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 79682078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).