2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide

C27H22Cl2N2O5S — CID 126331270

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C27H22Cl2N2O5S/c1-35-25-15-13-20(17-23(25)29)31(37(33,34)22-10-6-3-7-11-22)18-27(32)30-24-16-19(28)12-14-26(24)36-21-8-4-2-5-9-21/h2-17H,18H2,1H3,(H,30,32)
InChIKeyXGUZHUAOSGMUBU-UHFFFAOYSA-N
MW557.46 g/mol
LogP6.63
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide (PubChem CID 126331270) has the molecular formula C27H22Cl2N2O5S and a molecular weight of 557.46 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
PubChem CID126331270
Molecular FormulaC27H22Cl2N2O5S
Molecular Weight557.46 g/mol
Exact Mass556.06
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C27H22Cl2N2O5S/c1-35-25-15-13-20(17-23(25)29)31(37(33,34)22-10-6-3-7-11-22)18-27(32)30-24-16-19(28)12-14-26(24)36-21-8-4-2-5-9-21/h2-17H,18H2,1H3,(H,30,32)
InChIKeyXGUZHUAOSGMUBU-UHFFFAOYSA-N
XLogP6.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.46
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311
N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126278871
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30170290
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1076718
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
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 51343549
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1103809
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 3635037
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-phenylphenyl)acetamide
CID 126123999

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide (CID 126331270) is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide is COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The InChIKey is XGUZHUAOSGMUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2N2O5S/c1-35-25-15-13-20(17-23(25)29)31(37(33,34)22-10-6-3-7-11-22)18-27(32)30-24-16-19(28)12-14-26(24)36-21-8-4-2-5-9-21/h2-17H,18H2,1H3,(H,30,32).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide has a molecular weight of 557.46 g/mol, XLogP of 6.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide is sourced from PubChem (CID 126331270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).