5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide

C11H11BrN2O4S3 — CID 79912739

IUPAC5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)sc1Br
InChIInChI=1S/C11H11BrN2O4S3/c1-7-5-10(19-11(7)12)21(17,18)14-8-3-2-4-9(6-8)20(13,15)16/h2-6,14H,1H3,(H2,13,15,16)
InChIKeyKCROVEJLUTZHPS-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.27
Rot. Bonds4

About 5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide (PubChem CID 79912739) has the molecular formula C11H11BrN2O4S3 and a molecular weight of 411.32 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
PubChem CID79912739
Molecular FormulaC11H11BrN2O4S3
Molecular Weight411.32 g/mol
Exact Mass409.91
IUPAC Name5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)sc1Br
InChIInChI=1S/C11H11BrN2O4S3/c1-7-5-10(19-11(7)12)21(17,18)14-8-3-2-4-9(6-8)20(13,15)16/h2-6,14H,1H3,(H2,13,15,16)
InChIKeyKCROVEJLUTZHPS-UHFFFAOYSA-N
XLogP2.27
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79934527
5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 79998136
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 107575185
5-bromo-N-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 5097147
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-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 79995879
2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427451
N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 81310728
N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide (CID 79912739) is 5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
The InChIKey is KCROVEJLUTZHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4S3/c1-7-5-10(19-11(7)12)21(17,18)14-8-3-2-4-9(6-8)20(13,15)16/h2-6,14H,1H3,(H2,13,15,16).
What are the key properties of 5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide has a molecular weight of 411.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79912739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).