2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

C16H14ClF3N2O3S — CID 1100011

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF3N2O3S/c1-26(24,25)22(14-7-5-12(17)6-8-14)10-15(23)21-13-4-2-3-11(9-13)16(18,19)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyUQPBLEVCUGMPNJ-UHFFFAOYSA-N
MW406.81 g/mol
LogP3.76
Rot. Bonds5

About 2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1100011) has the molecular formula C16H14ClF3N2O3S and a molecular weight of 406.81 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1100011
Molecular FormulaC16H14ClF3N2O3S
Molecular Weight406.81 g/mol
Exact Mass406.04
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF3N2O3S/c1-26(24,25)22(14-7-5-12(17)6-8-14)10-15(23)21-13-4-2-3-11(9-13)16(18,19)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyUQPBLEVCUGMPNJ-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.81
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30169097
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2224754
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 92672616
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
CID 113154863
2-(4-fluoro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879912
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 2282025
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 21366977
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 1320398
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1100011) is 2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UQPBLEVCUGMPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3S/c1-26(24,25)22(14-7-5-12(17)6-8-14)10-15(23)21-13-4-2-3-11(9-13)16(18,19)20/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 406.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1100011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).