2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide

C17H16ClF3N2O4S — CID 1316281

IUPAC2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H16ClF3N2O4S/c1-27-13-6-4-12(5-7-13)22-16(24)10-23(28(2,25)26)15-9-11(17(19,20)21)3-8-14(15)18/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyLJNRZNUINSENNG-UHFFFAOYSA-N
MW436.84 g/mol
LogP3.77
Rot. Bonds6

About 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide (PubChem CID 1316281) has the molecular formula C17H16ClF3N2O4S and a molecular weight of 436.84 g/mol. Its IUPAC name is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide
PubChem CID1316281
Molecular FormulaC17H16ClF3N2O4S
Molecular Weight436.84 g/mol
Exact Mass436.05
IUPAC Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H16ClF3N2O4S/c1-27-13-6-4-12(5-7-13)22-16(24)10-23(28(2,25)26)15-9-11(17(19,20)21)3-8-14(15)18/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyLJNRZNUINSENNG-UHFFFAOYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide (CID 1316281) is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is LJNRZNUINSENNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O4S/c1-27-13-6-4-12(5-7-13)22-16(24)10-23(28(2,25)26)15-9-11(17(19,20)21)3-8-14(15)18/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide?
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 436.84 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1316281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).