2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide

C12H9ClF2N2O4S2 — CID 60579083

IUPAC2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C12H9ClF2N2O4S2/c13-9-5-7(14)1-4-12(9)23(20,21)17-11-3-2-8(6-10(11)15)22(16,18)19/h1-6,17H,(H2,16,18,19)
InChIKeyUKEJPQOVNJMGDF-UHFFFAOYSA-N
MW382.80 g/mol
LogP2.07
Rot. Bonds4

About 2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide

2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 60579083) has the molecular formula C12H9ClF2N2O4S2 and a molecular weight of 382.80 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide
PubChem CID60579083
Molecular FormulaC12H9ClF2N2O4S2
Molecular Weight382.80 g/mol
Exact Mass381.97
IUPAC Name2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C12H9ClF2N2O4S2/c13-9-5-7(14)1-4-12(9)23(20,21)17-11-3-2-8(6-10(11)15)22(16,18)19/h1-6,17H,(H2,16,18,19)
InChIKeyUKEJPQOVNJMGDF-UHFFFAOYSA-N
XLogP2.07
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide
CID 3875086
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
CID 60579391
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 60550023
2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide
CID 43745797
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide (CID 60579083) is 2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(F)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is UKEJPQOVNJMGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O4S2/c13-9-5-7(14)1-4-12(9)23(20,21)17-11-3-2-8(6-10(11)15)22(16,18)19/h1-6,17H,(H2,16,18,19).
What are the key properties of 2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide?
2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 382.80 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 60579083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).