2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C22H15Cl4F3N2O3S — CID 126010565

IUPAC2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H15Cl4F3N2O3S/c23-14-2-5-16(6-3-14)35(33,34)31(11-13-1-7-19(25)20(26)9-13)12-21(32)30-15-4-8-18(24)17(10-15)22(27,28)29/h1-10H,11-12H2,(H,30,32)
InChIKeyMRMGCQVICQXSFY-UHFFFAOYSA-N
MW586.25 g/mol
LogP7.15
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 126010565) has the molecular formula C22H15Cl4F3N2O3S and a molecular weight of 586.25 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID126010565
Molecular FormulaC22H15Cl4F3N2O3S
Molecular Weight586.25 g/mol
Exact Mass583.95
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H15Cl4F3N2O3S/c23-14-2-5-16(6-3-14)35(33,34)31(11-13-1-7-19(25)20(26)9-13)12-21(32)30-15-4-8-18(24)17(10-15)22(27,28)29/h1-10H,11-12H2,(H,30,32)
InChIKeyMRMGCQVICQXSFY-UHFFFAOYSA-N
XLogP7.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.25
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126063234
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126064719
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 43871984
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 124538005
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126210472
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 126010033
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 28544810
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 51344097
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid
CID 4075266
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28543814
4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126012394
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126009467

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 126010565) is 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MRMGCQVICQXSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl4F3N2O3S/c23-14-2-5-16(6-3-14)35(33,34)31(11-13-1-7-19(25)20(26)9-13)12-21(32)30-15-4-8-18(24)17(10-15)22(27,28)29/h1-10H,11-12H2,(H,30,32).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 586.25 g/mol, XLogP of 7.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126010565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).