4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide

C15H13F3N2O3S — CID 72724687

IUPAC4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide
SMILESNC(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)10-20(12-8-6-11(7-9-12)14(19)21)24(22,23)13-4-2-1-3-5-13/h1-9H,10H2,(H2,19,21)
InChIKeyRFMBLAPGRBGNQC-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.54
Rot. Bonds5

About 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide

4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide (PubChem CID 72724687) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide
PubChem CID72724687
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide
SMILESNC(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)10-20(12-8-6-11(7-9-12)14(19)21)24(22,23)13-4-2-1-3-5-13/h1-9H,10H2,(H2,19,21)
InChIKeyRFMBLAPGRBGNQC-UHFFFAOYSA-N
XLogP2.54
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,1,2,3,3,3-hexafluoro-2-hydroxypropyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 87929763
N-[4-(2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 127029953
N-[4-(1,1,1,3,3,4,4,5,5,5-decafluoro-2-hydroxypentan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 24776340
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 71490904
4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide
CID 51098722
N-(2-methylpropyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 22042568
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
4-[carboxymethyl-(4-fluorophenyl)sulfonylamino]benzoic acid
CID 50894343
benzene-1,4-dicarboxamide;benzenesulfonyl chloride
CID 175228763
2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 166987972

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide (CID 72724687) is 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide is NC(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide?
The InChIKey is RFMBLAPGRBGNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c16-15(17,18)10-20(12-8-6-11(7-9-12)14(19)21)24(22,23)13-4-2-1-3-5-13/h1-9H,10H2,(H2,19,21).
What are the key properties of 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide?
4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide has a molecular weight of 358.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide is sourced from PubChem (CID 72724687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).