4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide

C15H12ClF3N2O3S — CID 155510385

IUPAC4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O3S/c1-9-8-12(20-14(22)10-2-4-11(16)5-3-10)6-7-13(9)21-25(23,24)15(17,18)19/h2-8,21H,1H3,(H,20,22)
InChIKeyLERFSKILNBXMAL-UHFFFAOYSA-N
MW392.79 g/mol
LogP4.16
Rot. Bonds4

About 4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide

4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide (PubChem CID 155510385) has the molecular formula C15H12ClF3N2O3S and a molecular weight of 392.79 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
PubChem CID155510385
Molecular FormulaC15H12ClF3N2O3S
Molecular Weight392.79 g/mol
Exact Mass392.02
IUPAC Name4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O3S/c1-9-8-12(20-14(22)10-2-4-11(16)5-3-10)6-7-13(9)21-25(23,24)15(17,18)19/h2-8,21H,1H3,(H,20,22)
InChIKeyLERFSKILNBXMAL-UHFFFAOYSA-N
XLogP4.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
CID 155551960
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43246597
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 155552193
5-[(4-chlorobenzoyl)amino]-2-methylbenzenesulfonic acid
CID 139946842
N-(4-chlorophenyl)-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 3780548
4-N-[3-methyl-4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-1-N-(1-methylpyridin-1-ium-4-yl)benzene-1,4-dicarboxamide
CID 174224437
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide (CID 155510385) is 4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide?
The InChIKey is LERFSKILNBXMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3S/c1-9-8-12(20-14(22)10-2-4-11(16)5-3-10)6-7-13(9)21-25(23,24)15(17,18)19/h2-8,21H,1H3,(H,20,22).
What are the key properties of 4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide?
4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide has a molecular weight of 392.79 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide is sourced from PubChem (CID 155510385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).