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

C32H25ClN2O5S — CID 126415335

IUPAC2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESO=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C32H25ClN2O5S/c33-24-16-21-31(40-27-12-6-2-7-13-27)30(22-24)34-32(36)23-35(41(37,38)29-14-8-3-9-15-29)25-17-19-28(20-18-25)39-26-10-4-1-5-11-26/h1-22H,23H2,(H,34,36)
InChIKeyBXCUAODLYBJJAC-UHFFFAOYSA-N
MW585.08 g/mol
LogP7.76
Rot. Bonds10

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

2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide (PubChem CID 126415335) has the molecular formula C32H25ClN2O5S and a molecular weight of 585.08 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
PubChem CID126415335
Molecular FormulaC32H25ClN2O5S
Molecular Weight585.08 g/mol
Exact Mass584.12
IUPAC Name2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESO=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C32H25ClN2O5S/c33-24-16-21-31(40-27-12-6-2-7-13-27)30(22-24)34-32(36)23-35(41(37,38)29-14-8-3-9-15-29)25-17-19-28(20-18-25)39-26-10-4-1-5-11-26/h1-22H,23H2,(H,34,36)
InChIKeyBXCUAODLYBJJAC-UHFFFAOYSA-N
XLogP7.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.08
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-phenoxyphenyl)acetamide
CID 126270311
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 126273412
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126331270
N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126278871
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496
N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126267522
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1103809
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126273783
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 51343549
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 21372830
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-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide (CID 126415335) is 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide is O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The InChIKey is BXCUAODLYBJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClN2O5S/c33-24-16-21-31(40-27-12-6-2-7-13-27)30(22-24)34-32(36)23-35(41(37,38)29-14-8-3-9-15-29)25-17-19-28(20-18-25)39-26-10-4-1-5-11-26/h1-22H,23H2,(H,34,36).
What are the key properties of 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide has a molecular weight of 585.08 g/mol, XLogP of 7.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide is sourced from PubChem (CID 126415335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).