2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide

C13H14BrNO3S2 — CID 71781699

IUPAC2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H14BrNO3S2/c1-9-6-7-19-13(9)11(16)8-15-20(17,18)12-5-3-2-4-10(12)14/h2-7,11,15-16H,8H2,1H3
InChIKeySSDUQIXEFJRBIA-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.83
Rot. Bonds5

About 2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide

2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 71781699) has the molecular formula C13H14BrNO3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID71781699
Molecular FormulaC13H14BrNO3S2
Molecular Weight376.30 g/mol
Exact Mass374.96
IUPAC Name2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H14BrNO3S2/c1-9-6-7-19-13(9)11(16)8-15-20(17,18)12-5-3-2-4-10(12)14/h2-7,11,15-16H,8H2,1H3
InChIKeySSDUQIXEFJRBIA-UHFFFAOYSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 95367046
2,6-difluoro-N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 95367028
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide
CID 90496859
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95367034
4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90496827
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90496874
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044
1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 90496858
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 79471456
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 71781699) is 2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide is Cc1ccsc1C(O)CNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SSDUQIXEFJRBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S2/c1-9-6-7-19-13(9)11(16)8-15-20(17,18)12-5-3-2-4-10(12)14/h2-7,11,15-16H,8H2,1H3.
What are the key properties of 2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71781699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).