2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

C9H7ClF4N2O3S — CID 81453681

IUPAC2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNS(=O)(=O)c1cc(F)c(Cl)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H7ClF4N2O3S/c10-7-5(8(17)16-3-9(12,13)14)1-4(2-6(7)11)20(15,18)19/h1-2H,3H2,(H,16,17)(H2,15,18,19)
InChIKeyNXNCVRKAYLFKBL-UHFFFAOYSA-N
MW334.68 g/mol
LogP1.42
Rot. Bonds3

About 2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 81453681) has the molecular formula C9H7ClF4N2O3S and a molecular weight of 334.68 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID81453681
Molecular FormulaC9H7ClF4N2O3S
Molecular Weight334.68 g/mol
Exact Mass333.98
IUPAC Name2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNS(=O)(=O)c1cc(F)c(Cl)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H7ClF4N2O3S/c10-7-5(8(17)16-3-9(12,13)14)1-4(2-6(7)11)20(15,18)19/h1-2H,3H2,(H,16,17)(H2,15,18,19)
InChIKeyNXNCVRKAYLFKBL-UHFFFAOYSA-N
XLogP1.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.68
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 81454798
5-chloro-2-fluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373130
3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465788
3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374285
2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 81454215
2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528381
5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373702
2-bromo-4-fluoro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370283
5-bromo-2-chloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370282
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243
2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62091869

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (CID 81453681) is 2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NXNCVRKAYLFKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF4N2O3S/c10-7-5(8(17)16-3-9(12,13)14)1-4(2-6(7)11)20(15,18)19/h1-2H,3H2,(H,16,17)(H2,15,18,19).
What are the key properties of 2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 334.68 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 81453681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).