5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide

C12H11BrClNO2S2 — CID 80578616

IUPAC5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c(C)c1
InChIInChI=1S/C12H11BrClNO2S2/c1-7-3-4-10(8(2)5-7)15-19(16,17)11-6-9(14)12(13)18-11/h3-6,15H,1-2H3
InChIKeyRPSPUPCLASTBRV-UHFFFAOYSA-N
MW380.72 g/mol
LogP4.58
Rot. Bonds3

About 5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide (PubChem CID 80578616) has the molecular formula C12H11BrClNO2S2 and a molecular weight of 380.72 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
PubChem CID80578616
Molecular FormulaC12H11BrClNO2S2
Molecular Weight380.72 g/mol
Exact Mass378.91
IUPAC Name5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c(C)c1
InChIInChI=1S/C12H11BrClNO2S2/c1-7-3-4-10(8(2)5-7)15-19(16,17)11-6-9(14)12(13)18-11/h3-6,15H,1-2H3
InChIKeyRPSPUPCLASTBRV-UHFFFAOYSA-N
XLogP4.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.72
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969488
5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide
CID 114296086
5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide
CID 80579944
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
5-bromo-4-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 80579960
5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide
CID 80578856
5-(aminomethyl)-2-bromo-N-(2,4-dimethylphenyl)thiophene-3-sulfonamide
CID 106060392
5-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)thiophene-2-sulfonamide
CID 80577587
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
CID 80577224

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide (CID 80578616) is 5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c(C)c1.
What is the InChIKey of 5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide?
The InChIKey is RPSPUPCLASTBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO2S2/c1-7-3-4-10(8(2)5-7)15-19(16,17)11-6-9(14)12(13)18-11/h3-6,15H,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide has a molecular weight of 380.72 g/mol, XLogP of 4.58, 3 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-(2,4-dimethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80578616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).