N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide

C22H16Cl3F3N2O3S — CID 126152377

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H16Cl3F3N2O3S/c1-13-2-5-18(6-3-13)34(32,33)30(17-10-15(23)9-16(24)11-17)12-21(31)29-20-8-14(22(26,27)28)4-7-19(20)25/h2-11H,12H2,1H3,(H,29,31)
InChIKeyJEHVCCKJYVWEAB-UHFFFAOYSA-N
MW551.80 g/mol
LogP6.81
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 126152377) has the molecular formula C22H16Cl3F3N2O3S and a molecular weight of 551.80 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID126152377
Molecular FormulaC22H16Cl3F3N2O3S
Molecular Weight551.80 g/mol
Exact Mass549.99
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H16Cl3F3N2O3S/c1-13-2-5-18(6-3-13)34(32,33)30(17-10-15(23)9-16(24)11-17)12-21(31)29-20-8-14(22(26,27)28)4-7-19(20)25/h2-11H,12H2,1H3,(H,29,31)
InChIKeyJEHVCCKJYVWEAB-UHFFFAOYSA-N
XLogP6.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.80
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126141625
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344429
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126062976
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126413999
N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891686
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126324001
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126123486
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126011263
2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid
CID 51344434
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126123779
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,5-dichlorophenyl)acetamide
CID 126338098
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45375126

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 126152377) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is JEHVCCKJYVWEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3F3N2O3S/c1-13-2-5-18(6-3-13)34(32,33)30(17-10-15(23)9-16(24)11-17)12-21(31)29-20-8-14(22(26,27)28)4-7-19(20)25/h2-11H,12H2,1H3,(H,29,31).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 551.80 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126152377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).