2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C17H16ClF3N2O3S — CID 2222415

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClF3N2O3S/c1-27(25,26)23(10-12-6-8-13(18)9-7-12)11-16(24)22-15-5-3-2-4-14(15)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyHJNLTVMCSYCPFY-UHFFFAOYSA-N
MW420.84 g/mol
LogP3.76
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 2222415) has the molecular formula C17H16ClF3N2O3S and a molecular weight of 420.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID2222415
Molecular FormulaC17H16ClF3N2O3S
Molecular Weight420.84 g/mol
Exact Mass420.05
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClF3N2O3S/c1-27(25,26)23(10-12-6-8-13(18)9-7-12)11-16(24)22-15-5-3-2-4-14(15)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyHJNLTVMCSYCPFY-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1334909
N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 2223290
2-[2-methylpropyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113148570
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126085501
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18080138
2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 28548467
N-(4-chloro-2-methylphenyl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100572306
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 3969354
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1321054

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 2222415) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HJNLTVMCSYCPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3S/c1-27(25,26)23(10-12-6-8-13(18)9-7-12)11-16(24)22-15-5-3-2-4-14(15)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 420.84 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2222415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).