5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide

C11H11BrN2O4S3 — CID 31073677

IUPAC5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C11H11BrN2O4S3/c1-20(15,16)13-8-2-4-9(5-3-8)14-21(17,18)11-7-6-10(12)19-11/h2-7,13-14H,1H3
InChIKeyIGYPIBDFVNMOHI-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.68
Rot. Bonds5

About 5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide

5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide (PubChem CID 31073677) has the molecular formula C11H11BrN2O4S3 and a molecular weight of 411.32 g/mol. Its IUPAC name is 5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
PubChem CID31073677
Molecular FormulaC11H11BrN2O4S3
Molecular Weight411.32 g/mol
Exact Mass409.91
IUPAC Name5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C11H11BrN2O4S3/c1-20(15,16)13-8-2-4-9(5-3-8)14-21(17,18)11-7-6-10(12)19-11/h2-7,13-14H,1H3
InChIKeyIGYPIBDFVNMOHI-UHFFFAOYSA-N
XLogP2.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
CID 65031324
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 2206115
5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
CID 112981010
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide
CID 24542625
N-(6-amino-3-pyridinyl)-5-bromothiophene-2-sulfonamide
CID 60790488

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide (CID 31073677) is 5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide is CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide?
The InChIKey is IGYPIBDFVNMOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4S3/c1-20(15,16)13-8-2-4-9(5-3-8)14-21(17,18)11-7-6-10(12)19-11/h2-7,13-14H,1H3.
What are the key properties of 5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide has a molecular weight of 411.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 31073677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).