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

C16H11BrCl2N2O4S3 — CID 126132426

IUPAC5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H11BrCl2N2O4S3/c17-14-8-9-15(26-14)28(24,25)20-10-4-6-11(7-5-10)27(22,23)21-13-3-1-2-12(18)16(13)19/h1-9,20-21H
InChIKeyNWYPYUPWQLUTPX-UHFFFAOYSA-N
MW542.29 g/mol
LogP5.42
Rot. Bonds6

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

5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 126132426) has the molecular formula C16H11BrCl2N2O4S3 and a molecular weight of 542.29 g/mol. Its IUPAC name is 5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID126132426
Molecular FormulaC16H11BrCl2N2O4S3
Molecular Weight542.29 g/mol
Exact Mass539.84
IUPAC Name5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H11BrCl2N2O4S3/c17-14-8-9-15(26-14)28(24,25)20-10-4-6-11(7-5-10)27(22,23)21-13-3-1-2-12(18)16(13)19/h1-9,20-21H
InChIKeyNWYPYUPWQLUTPX-UHFFFAOYSA-N
XLogP5.42
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.29
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126134587
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1006732
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 126387209
N-(2,3-dichlorophenyl)-5-fluorothiophene-2-sulfonamide
CID 91969516
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 1319427
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
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 126132426) is 5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is NWYPYUPWQLUTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2N2O4S3/c17-14-8-9-15(26-14)28(24,25)20-10-4-6-11(7-5-10)27(22,23)21-13-3-1-2-12(18)16(13)19/h1-9,20-21H.
What are the key properties of 5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 542.29 g/mol, XLogP of 5.42, 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-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 126132426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).