4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide

C10H10ClF3N2O3S — CID 49019461

IUPAC4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCS(=O)(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1Cl
InChIInChI=1S/C10H10ClF3N2O3S/c1-20(18,19)16-8-4-6(2-3-7(8)11)9(17)15-5-10(12,13)14/h2-4,16H,5H2,1H3,(H,15,17)
InChIKeyYJFPSFZHPXIVOG-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.00
Rot. Bonds4

About 4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide

4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 49019461) has the molecular formula C10H10ClF3N2O3S and a molecular weight of 330.72 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID49019461
Molecular FormulaC10H10ClF3N2O3S
Molecular Weight330.72 g/mol
Exact Mass330.01
IUPAC Name4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCS(=O)(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1Cl
InChIInChI=1S/C10H10ClF3N2O3S/c1-20(18,19)16-8-4-6(2-3-7(8)11)9(17)15-5-10(12,13)14/h2-4,16H,5H2,1H3,(H,15,17)
InChIKeyYJFPSFZHPXIVOG-UHFFFAOYSA-N
XLogP2.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide
CID 49021281
4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
CID 60604741
2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65371621
4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide
CID 49014960
4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide
CID 52514330
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide
CID 95592917
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide
CID 23592519
4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
CID 100786334

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide (CID 49019461) is 4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide is CS(=O)(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1Cl.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is YJFPSFZHPXIVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O3S/c1-20(18,19)16-8-4-6(2-3-7(8)11)9(17)15-5-10(12,13)14/h2-4,16H,5H2,1H3,(H,15,17).
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide?
4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 330.72 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 49019461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).