4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide

C32H25ClN2O4S — CID 21372436

IUPAC4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C32H25ClN2O4S/c33-26-20-21-31(39-28-12-6-2-7-13-28)30(22-26)34-32(36)25-18-16-24(17-19-25)23-35(27-10-4-1-5-11-27)40(37,38)29-14-8-3-9-15-29/h1-22H,23H2,(H,34,36)
InChIKeyRQFHRTCNIKMIGP-UHFFFAOYSA-N
MW569.08 g/mol
LogP7.78
Rot. Bonds9

About 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide

4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide (PubChem CID 21372436) has the molecular formula C32H25ClN2O4S and a molecular weight of 569.08 g/mol. Its IUPAC name is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide
PubChem CID21372436
Molecular FormulaC32H25ClN2O4S
Molecular Weight569.08 g/mol
Exact Mass568.12
IUPAC Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C32H25ClN2O4S/c33-26-20-21-31(39-28-12-6-2-7-13-28)30(22-26)34-32(36)25-18-16-24(17-19-25)23-35(27-10-4-1-5-11-27)40(37,38)29-14-8-3-9-15-29/h1-22H,23H2,(H,34,36)
InChIKeyRQFHRTCNIKMIGP-UHFFFAOYSA-N
XLogP7.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.08
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 2973027
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 124539918
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 126273412
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide
CID 1297380
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methylphenyl)benzamide
CID 2262442
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide
CID 126271468
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

Frequently Asked Questions

What is the IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide?
The IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide (CID 21372436) is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide?
The canonical SMILES for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide is O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide?
The InChIKey is RQFHRTCNIKMIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClN2O4S/c33-26-20-21-31(39-28-12-6-2-7-13-28)30(22-26)34-32(36)25-18-16-24(17-19-25)23-35(27-10-4-1-5-11-27)40(37,38)29-14-8-3-9-15-29/h1-22H,23H2,(H,34,36).
What are the key properties of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide?
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide has a molecular weight of 569.08 g/mol, XLogP of 7.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide is sourced from PubChem (CID 21372436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).