3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

C16H14F4N2O3S — CID 24656490

IUPAC3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C16H14F4N2O3S/c1-10-7-12(17)5-6-14(10)26(24,25)22-13-4-2-3-11(8-13)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyDXITZIHSOVDKKZ-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.23
Rot. Bonds5

About 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 24656490) has the molecular formula C16H14F4N2O3S and a molecular weight of 390.36 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID24656490
Molecular FormulaC16H14F4N2O3S
Molecular Weight390.36 g/mol
Exact Mass390.07
IUPAC Name3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C16H14F4N2O3S/c1-10-7-12(17)5-6-14(10)26(24,25)22-13-4-2-3-11(8-13)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyDXITZIHSOVDKKZ-UHFFFAOYSA-N
XLogP3.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24602856
N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 119629709
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
N-(2-amino-2-oxoethyl)-3-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55663136
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
CID 52699404
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 86976041
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide
CID 95783231
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 100691508

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 24656490) is 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DXITZIHSOVDKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O3S/c1-10-7-12(17)5-6-14(10)26(24,25)22-13-4-2-3-11(8-13)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23).
What are the key properties of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 390.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 24656490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).