2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide

C13H14BrNO3S2 — CID 97427133

IUPAC2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCO[C@H](CNS(=O)(=O)c1ccccc1Br)c1ccsc1
InChIInChI=1S/C13H14BrNO3S2/c1-18-12(10-6-7-19-9-10)8-15-20(16,17)13-5-3-2-4-11(13)14/h2-7,9,12,15H,8H2,1H3/t12-/m1/s1
InChIKeyFTTSFQYMTDLAOK-GFCCVEGCSA-N
MW376.30 g/mol
LogP3.18
Rot. Bonds6

About 2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide

2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide (PubChem CID 97427133) has the molecular formula C13H14BrNO3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide
PubChem CID97427133
Molecular FormulaC13H14BrNO3S2
Molecular Weight376.30 g/mol
Exact Mass374.96
IUPAC Name2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCO[C@H](CNS(=O)(=O)c1ccccc1Br)c1ccsc1
InChIInChI=1S/C13H14BrNO3S2/c1-18-12(10-6-7-19-9-10)8-15-20(16,17)13-5-3-2-4-11(13)14/h2-7,9,12,15H,8H2,1H3/t12-/m1/s1
InChIKeyFTTSFQYMTDLAOK-GFCCVEGCSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584014
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 90584008
4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584060
N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
CID 90584057
2,4-dichloro-N-(2-methoxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 90584085
3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584031
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 122161397
N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 90584021
methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate
CID 71804782
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 90584070
4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide (CID 97427133) is 2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide is CO[C@H](CNS(=O)(=O)c1ccccc1Br)c1ccsc1.
What is the InChIKey of 2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide?
The InChIKey is FTTSFQYMTDLAOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14BrNO3S2/c1-18-12(10-6-7-19-9-10)8-15-20(16,17)13-5-3-2-4-11(13)14/h2-7,9,12,15H,8H2,1H3/t12-/m1/s1.
What are the key properties of 2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide?
2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide has a molecular weight of 376.30 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 97427133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).