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

C16H14F4N2O3S — CID 37064256

IUPAC4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)ccc1F
InChIInChI=1S/C16H14F4N2O3S/c1-10-8-13(6-7-14(10)17)26(24,25)22-12-4-2-11(3-5-12)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyTVDHCDZLSWMADQ-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.23
Rot. Bonds5

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

4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 37064256) has the molecular formula C16H14F4N2O3S and a molecular weight of 390.36 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID37064256
Molecular FormulaC16H14F4N2O3S
Molecular Weight390.36 g/mol
Exact Mass390.07
IUPAC Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)ccc1F
InChIInChI=1S/C16H14F4N2O3S/c1-10-8-13(6-7-14(10)17)26(24,25)22-12-4-2-11(3-5-12)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyTVDHCDZLSWMADQ-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

N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 55370304
4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52544449
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
CID 120833202
4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31579016
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
N-(3-amino-2-methylpropyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119995158
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511031
N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24818233
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 24980410
N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24539662

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 37064256) is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is TVDHCDZLSWMADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O3S/c1-10-8-13(6-7-14(10)17)26(24,25)22-12-4-2-11(3-5-12)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23).
What are the key properties of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(4-fluoro-3-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 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 37064256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).