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

C11H11BrN2O4S3 — CID 61063182

IUPAC3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H11BrN2O4S3/c1-7-2-3-8(20(13,15)16)6-10(7)14-21(17,18)11-9(12)4-5-19-11/h2-6,14H,1H3,(H2,13,15,16)
InChIKeyFDCYJJPUTSBNBS-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.27
Rot. Bonds4

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

3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide (PubChem CID 61063182) has the molecular formula C11H11BrN2O4S3 and a molecular weight of 411.32 g/mol. Its IUPAC name is 3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide
PubChem CID61063182
Molecular FormulaC11H11BrN2O4S3
Molecular Weight411.32 g/mol
Exact Mass409.91
IUPAC Name3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H11BrN2O4S3/c1-7-2-3-8(20(13,15)16)6-10(7)14-21(17,18)11-9(12)4-5-19-11/h2-6,14H,1H3,(H2,13,15,16)
InChIKeyFDCYJJPUTSBNBS-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

3-bromo-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 61062554
3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063289
N-(4-amino-2-methylphenyl)-3-bromothiophene-2-sulfonamide
CID 54947088
3-bromo-N-(2,4-dimethyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 104757885
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113445600
3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113319012
3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
CID 64793855
3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 61061972
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145
N-(5-amino-4-methyl-2-pyridinyl)-3-bromothiophene-2-sulfonamide
CID 54947505
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 54951923
N-(2-amino-4-fluorophenyl)-3-bromothiophene-2-sulfonamide
CID 54947239

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide (CID 61063182) is 3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide is Cc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide?
The InChIKey is FDCYJJPUTSBNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4S3/c1-7-2-3-8(20(13,15)16)6-10(7)14-21(17,18)11-9(12)4-5-19-11/h2-6,14H,1H3,(H2,13,15,16).
What are the key properties of 3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide?
3-bromo-N-(2-methyl-5-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 3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61063182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).