N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide

C21H17Cl3N2O4S — CID 21372830

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H17Cl3N2O4S/c1-31(28,29)26(17-10-15(23)9-16(24)11-17)13-21(27)25-19-12-14(22)7-8-20(19)30-18-5-3-2-4-6-18/h2-12H,13H2,1H3,(H,25,27)
InChIKeySVDMLSGRUNHQQM-UHFFFAOYSA-N
MW499.80 g/mol
LogP5.84
Rot. Bonds7

About N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide

N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 21372830) has the molecular formula C21H17Cl3N2O4S and a molecular weight of 499.80 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID21372830
Molecular FormulaC21H17Cl3N2O4S
Molecular Weight499.80 g/mol
Exact Mass498.00
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H17Cl3N2O4S/c1-31(28,29)26(17-10-15(23)9-16(24)11-17)13-21(27)25-19-12-14(22)7-8-20(19)30-18-5-3-2-4-6-18/h2-12H,13H2,1H3,(H,25,27)
InChIKeySVDMLSGRUNHQQM-UHFFFAOYSA-N
XLogP5.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.80
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311
N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 126316891
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 17313048
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221166
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 51343549
N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126278871
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 4565026
N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787270
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126331270

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide (CID 21372830) is N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is SVDMLSGRUNHQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O4S/c1-31(28,29)26(17-10-15(23)9-16(24)11-17)13-21(27)25-19-12-14(22)7-8-20(19)30-18-5-3-2-4-6-18/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 499.80 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 21372830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).