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

C16H12Br2N2O4S3 — CID 22193739

IUPAC5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H12Br2N2O4S3/c17-11-1-3-12(4-2-11)19-26(21,22)14-7-5-13(6-8-14)20-27(23,24)16-10-9-15(18)25-16/h1-10,19-20H
InChIKeyPFAIBFFUKUIFKG-UHFFFAOYSA-N
MW552.29 g/mol
LogP4.87
Rot. Bonds6

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

5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 22193739) has the molecular formula C16H12Br2N2O4S3 and a molecular weight of 552.29 g/mol. Its IUPAC name is 5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID22193739
Molecular FormulaC16H12Br2N2O4S3
Molecular Weight552.29 g/mol
Exact Mass549.83
IUPAC Name5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H12Br2N2O4S3/c17-11-1-3-12(4-2-11)19-26(21,22)14-7-5-13(6-8-14)20-27(23,24)16-10-9-15(18)25-16/h1-10,19-20H
InChIKeyPFAIBFFUKUIFKG-UHFFFAOYSA-N
XLogP4.87
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.29
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126134587
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
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
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 2206115
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
CID 65031324
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
5-bromo-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 22773592

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 22193739) is 5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Br)cc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is PFAIBFFUKUIFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O4S3/c17-11-1-3-12(4-2-11)19-26(21,22)14-7-5-13(6-8-14)20-27(23,24)16-10-9-15(18)25-16/h1-10,19-20H.
What are the key properties of 5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 552.29 g/mol, XLogP of 4.87, 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-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22193739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).