2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide

C27H22Cl2N2O4S — CID 126343496

IUPAC2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C27H22Cl2N2O4S/c1-19-10-13-24(14-11-19)36(33,34)31(22-7-5-6-20(28)16-22)18-27(32)30-25-17-21(29)12-15-26(25)35-23-8-3-2-4-9-23/h2-17H,18H2,1H3,(H,30,32)
InChIKeyYAMIPUIWGKOAGF-UHFFFAOYSA-N
MW541.46 g/mol
LogP6.93
Rot. Bonds8

About 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide (PubChem CID 126343496) has the molecular formula C27H22Cl2N2O4S and a molecular weight of 541.46 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
PubChem CID126343496
Molecular FormulaC27H22Cl2N2O4S
Molecular Weight541.46 g/mol
Exact Mass540.07
IUPAC Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C27H22Cl2N2O4S/c1-19-10-13-24(14-11-19)36(33,34)31(22-7-5-6-20(28)16-22)18-27(32)30-25-17-21(29)12-15-26(25)35-23-8-3-2-4-9-23/h2-17H,18H2,1H3,(H,30,32)
InChIKeyYAMIPUIWGKOAGF-UHFFFAOYSA-N
XLogP6.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.46
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126267522
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 4565026
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894011
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126273783
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126322737
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 126273412
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335
N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126278871
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126331270
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893859
N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247356

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide (CID 126343496) is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
The InChIKey is YAMIPUIWGKOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2N2O4S/c1-19-10-13-24(14-11-19)36(33,34)31(22-7-5-6-20(28)16-22)18-27(32)30-25-17-21(29)12-15-26(25)35-23-8-3-2-4-9-23/h2-17H,18H2,1H3,(H,30,32).
What are the key properties of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide has a molecular weight of 541.46 g/mol, XLogP of 6.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide is sourced from PubChem (CID 126343496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).