3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide

C11H8Br2ClNO2S2 — CID 113445600

IUPAC3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2sccc2Br)cc1Cl
InChIInChI=1S/C11H8Br2ClNO2S2/c1-6-4-8(13)10(5-9(6)14)15-19(16,17)11-7(12)2-3-18-11/h2-5,15H,1H3
InChIKeyAATSYCCHCXFGMQ-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.04
Rot. Bonds3

About 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide

3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide (PubChem CID 113445600) has the molecular formula C11H8Br2ClNO2S2 and a molecular weight of 445.59 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
PubChem CID113445600
Molecular FormulaC11H8Br2ClNO2S2
Molecular Weight445.59 g/mol
Exact Mass442.81
IUPAC Name3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2sccc2Br)cc1Cl
InChIInChI=1S/C11H8Br2ClNO2S2/c1-6-4-8(13)10(5-9(6)14)15-19(16,17)11-7(12)2-3-18-11/h2-5,15H,1H3
InChIKeyAATSYCCHCXFGMQ-UHFFFAOYSA-N
XLogP5.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113319012
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106078949
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
N-(4-amino-2-methylphenyl)-3-bromothiophene-2-sulfonamide
CID 54947088
3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063182
3-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-2-sulfonamide
CID 107792932
5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 104722427
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide
CID 107629908

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide (CID 113445600) is 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2sccc2Br)cc1Cl.
What is the InChIKey of 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is AATSYCCHCXFGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClNO2S2/c1-6-4-8(13)10(5-9(6)14)15-19(16,17)11-7(12)2-3-18-11/h2-5,15H,1H3.
What are the key properties of 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide?
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 445.59 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 113445600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).