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

C16H12BrClN2O4S3 — CID 126134587

IUPAC5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H12BrClN2O4S3/c17-15-8-9-16(25-15)27(23,24)19-12-4-6-14(7-5-12)26(21,22)20-13-3-1-2-11(18)10-13/h1-10,19-20H
InChIKeyDZZRNLOZQWXUPE-UHFFFAOYSA-N
MW507.84 g/mol
LogP4.77
Rot. Bonds6

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

5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 126134587) has the molecular formula C16H12BrClN2O4S3 and a molecular weight of 507.84 g/mol. Its IUPAC name is 5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID126134587
Molecular FormulaC16H12BrClN2O4S3
Molecular Weight507.84 g/mol
Exact Mass505.88
IUPAC Name5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H12BrClN2O4S3/c17-15-8-9-16(25-15)27(23,24)19-12-4-6-14(7-5-12)26(21,22)20-13-3-1-2-11(18)10-13/h1-10,19-20H
InChIKeyDZZRNLOZQWXUPE-UHFFFAOYSA-N
XLogP4.77
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.84
LogP ≤ 54.77
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-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126132426
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
4,5-dibromo-N-(3-chlorophenyl)thiophene-2-sulfonamide
CID 3830186
5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 2198378
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
CID 65031324
1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075750

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 126134587) is 5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is DZZRNLOZQWXUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O4S3/c17-15-8-9-16(25-15)27(23,24)19-12-4-6-14(7-5-12)26(21,22)20-13-3-1-2-11(18)10-13/h1-10,19-20H.
What are the key properties of 5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 507.84 g/mol, XLogP of 4.77, 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-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 126134587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).