2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C17H16ClF3N2O4S — CID 1022050

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C17H16ClF3N2O4S/c1-23(28(25,26)11-7-8-15(27-2)13(18)9-11)10-16(24)22-14-6-4-3-5-12(14)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyCUQOBWNJXOGEKZ-UHFFFAOYSA-N
MW436.84 g/mol
LogP3.63
Rot. Bonds6

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1022050) has the molecular formula C17H16ClF3N2O4S and a molecular weight of 436.84 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1022050
Molecular FormulaC17H16ClF3N2O4S
Molecular Weight436.84 g/mol
Exact Mass436.05
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C17H16ClF3N2O4S/c1-23(28(25,26)11-7-8-15(27-2)13(18)9-11)10-16(24)22-14-6-4-3-5-12(14)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyCUQOBWNJXOGEKZ-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(4-Chloro-2-methylphenyl)benzenesulfonamido]-N-(4-ethoxyphenyl)acetamide
CID 1260663
2-[Benzenesulfonyl-(4-methoxy-phenyl)-amino]-N-(3-chloro-2-methyl-phenyl)-acetamide
CID 1134581
Cambridge id 5575070
CID 1134627
2-(N-Benzyl3,4-dimethoxybenzenesulfonamido)-N-(5-chloro-2-methylphenyl)acetamide
CID 1078982
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108099
N-(3-acetylphenyl)-N~2~-[(3-chloro-4-methoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 1243303
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1318352
N-(3-Chloro-4-methoxyphenyl)-2-(N-phenyl4-ethoxybenzenesulfonamido)acetamide
CID 1318503
N-(3-chloro-4-methoxyphenyl)-N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 1331482
N-(3-chloro-4-methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-5-oxoprolinamide
CID 2956558
N-(3-chloro-4-methoxyphenyl)-2-{4-[(4-methoxyphenyl)sulfonyl]-1,4-diazepan-1-yl}acetamide
CID 3244475
4-(3-Chloro-4-methoxy-benzenesulfonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 6492939

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1022050) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CUQOBWNJXOGEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O4S/c1-23(28(25,26)11-7-8-15(27-2)13(18)9-11)10-16(24)22-14-6-4-3-5-12(14)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 436.84 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1022050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).