5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide

C12H11BrClNO2S2 — CID 114010398

IUPAC5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)c1ccccc1
InChIInChI=1S/C12H11BrClNO2S2/c1-8(9-5-3-2-4-6-9)15-19(16,17)11-7-10(14)12(13)18-11/h2-8,15H,1H3/t8-/m0/s1
InChIKeyYARKFHKDQABBFE-QMMMGPOBSA-N
MW380.72 g/mol
LogP4.20
Rot. Bonds4

About 5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide

5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide (PubChem CID 114010398) has the molecular formula C12H11BrClNO2S2 and a molecular weight of 380.72 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
PubChem CID114010398
Molecular FormulaC12H11BrClNO2S2
Molecular Weight380.72 g/mol
Exact Mass378.91
IUPAC Name5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)c1ccccc1
InChIInChI=1S/C12H11BrClNO2S2/c1-8(9-5-3-2-4-6-9)15-19(16,17)11-7-10(14)12(13)18-11/h2-8,15H,1H3/t8-/m0/s1
InChIKeyYARKFHKDQABBFE-QMMMGPOBSA-N
XLogP4.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
CID 107868984
5-bromo-4-chloro-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 80580119
5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 80578485
5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide
CID 103825674
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79998802
5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968
N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577776
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
CID 80577604
5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide
CID 80577530
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide
CID 115685414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide (CID 114010398) is 5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide is C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)c1ccccc1.
What is the InChIKey of 5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is YARKFHKDQABBFE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11BrClNO2S2/c1-8(9-5-3-2-4-6-9)15-19(16,17)11-7-10(14)12(13)18-11/h2-8,15H,1H3/t8-/m0/s1.
What are the key properties of 5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 380.72 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114010398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).