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

C11H8BrCl2NO2S2 — CID 113319012

IUPAC3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)c2sccc2Br)cc1Cl
InChIInChI=1S/C11H8BrCl2NO2S2/c1-6-4-9(14)10(5-8(6)13)15-19(16,17)11-7(12)2-3-18-11/h2-5,15H,1H3
InChIKeyAMIRAVPARKGOCQ-UHFFFAOYSA-N
MW401.13 g/mol
LogP4.93
Rot. Bonds3

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

3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide (PubChem CID 113319012) has the molecular formula C11H8BrCl2NO2S2 and a molecular weight of 401.13 g/mol. Its IUPAC name is 3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide
PubChem CID113319012
Molecular FormulaC11H8BrCl2NO2S2
Molecular Weight401.13 g/mol
Exact Mass398.86
IUPAC Name3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)c2sccc2Br)cc1Cl
InChIInChI=1S/C11H8BrCl2NO2S2/c1-6-4-9(14)10(5-8(6)13)15-19(16,17)11-7(12)2-3-18-11/h2-5,15H,1H3
InChIKeyAMIRAVPARKGOCQ-UHFFFAOYSA-N
XLogP4.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.13
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113445600
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145
N-(4-amino-2-methylphenyl)-3-bromothiophene-2-sulfonamide
CID 54947088
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
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
3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide
CID 107629908
3-bromo-N-(2,4-dimethyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 104757885
3-bromo-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 61062554
3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
CID 64793855
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 104725769
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 54951923

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide (CID 113319012) is 3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide is Cc1cc(Cl)c(NS(=O)(=O)c2sccc2Br)cc1Cl.
What is the InChIKey of 3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is AMIRAVPARKGOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NO2S2/c1-6-4-9(14)10(5-8(6)13)15-19(16,17)11-7(12)2-3-18-11/h2-5,15H,1H3.
What are the key properties of 3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide?
3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 401.13 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 113319012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).