2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide

C17H16ClF3N2O3S — CID 24677998

IUPAC2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C17H16ClF3N2O3S/c1-11-3-6-13(7-4-11)22-16(24)10-23(2)27(25,26)15-9-12(17(19,20)21)5-8-14(15)18/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyVHSLQUFXFKFBGD-UHFFFAOYSA-N
MW420.84 g/mol
LogP3.93
Rot. Bonds5

About 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 24677998) has the molecular formula C17H16ClF3N2O3S and a molecular weight of 420.84 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID24677998
Molecular FormulaC17H16ClF3N2O3S
Molecular Weight420.84 g/mol
Exact Mass420.05
IUPAC Name2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C17H16ClF3N2O3S/c1-11-3-6-13(7-4-11)22-16(24)10-23(2)27(25,26)15-9-12(17(19,20)21)5-8-14(15)18/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyVHSLQUFXFKFBGD-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588758
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 45374381
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1021379
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 17027740
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 2545228
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45375126
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126413999
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1248291
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126324001
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110335714
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide (CID 24677998) is 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is VHSLQUFXFKFBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3S/c1-11-3-6-13(7-4-11)22-16(24)10-23(2)27(25,26)15-9-12(17(19,20)21)5-8-14(15)18/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 420.84 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 24677998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).