5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

C18H17BrN2O4S3 — CID 126136963

IUPAC5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)cc1C
InChIInChI=1S/C18H17BrN2O4S3/c1-12-3-4-15(11-13(12)2)21-27(22,23)16-7-5-14(6-8-16)20-28(24,25)18-10-9-17(19)26-18/h3-11,20-21H,1-2H3
InChIKeyUCBVTMNMGKSMEO-UHFFFAOYSA-N
MW501.45 g/mol
LogP4.73
Rot. Bonds6

About 5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 126136963) has the molecular formula C18H17BrN2O4S3 and a molecular weight of 501.45 g/mol. Its IUPAC name is 5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID126136963
Molecular FormulaC18H17BrN2O4S3
Molecular Weight501.45 g/mol
Exact Mass499.95
IUPAC Name5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)cc1C
InChIInChI=1S/C18H17BrN2O4S3/c1-12-3-4-15(11-13(12)2)21-27(22,23)16-7-5-14(6-8-16)20-28(24,25)18-10-9-17(19)26-18/h3-11,20-21H,1-2H3
InChIKeyUCBVTMNMGKSMEO-UHFFFAOYSA-N
XLogP4.73
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.45
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227
5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126134587
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 2206115
5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1006732
5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126132426
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 126136963) is 5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)cc1C.
What is the InChIKey of 5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is UCBVTMNMGKSMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O4S3/c1-12-3-4-15(11-13(12)2)21-27(22,23)16-7-5-14(6-8-16)20-28(24,25)18-10-9-17(19)26-18/h3-11,20-21H,1-2H3.
What are the key properties of 5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 501.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 126136963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).