5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide

C11H8BrCl2NO2S2 — CID 79995879

IUPAC5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)sc1Br
InChIInChI=1S/C11H8BrCl2NO2S2/c1-6-2-10(18-11(6)12)19(16,17)15-9-4-7(13)3-8(14)5-9/h2-5,15H,1H3
InChIKeyJMLWMLFLDKSVAT-UHFFFAOYSA-N
MW401.13 g/mol
LogP4.93
Rot. Bonds3

About 5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 79995879) has the molecular formula C11H8BrCl2NO2S2 and a molecular weight of 401.13 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
PubChem CID79995879
Molecular FormulaC11H8BrCl2NO2S2
Molecular Weight401.13 g/mol
Exact Mass398.86
IUPAC Name5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)sc1Br
InChIInChI=1S/C11H8BrCl2NO2S2/c1-6-2-10(18-11(6)12)19(16,17)15-9-4-7(13)3-8(14)5-9/h2-5,15H,1H3
InChIKeyJMLWMLFLDKSVAT-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

5-bromo-N-(4-bromo-3,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 107575185
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-bromo-N-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
5-bromo-4-chloro-N-(3-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 107370257
5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79934527
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
4,5-dibromo-N-(3-chlorophenyl)thiophene-2-sulfonamide
CID 3830186
5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933087
5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide
CID 79999030
5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 79912739
5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 79997910
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide (CID 79995879) is 5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)sc1Br.
What is the InChIKey of 5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is JMLWMLFLDKSVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NO2S2/c1-6-2-10(18-11(6)12)19(16,17)15-9-4-7(13)3-8(14)5-9/h2-5,15H,1H3.
What are the key properties of 5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-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 5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79995879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).