4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide

C29H26ClN3O4S — CID 3318602

IUPAC4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C29H26ClN3O4S/c1-19-9-8-12-23(17-19)33-38(36,37)27-18-22(15-16-25(27)30)28(34)32-26-14-7-6-13-24(26)29(35)31-20(2)21-10-4-3-5-11-21/h3-18,20,33H,1-2H3,(H,31,35)(H,32,34)
InChIKeyICVPOQDTXGRJIJ-UHFFFAOYSA-N
MW548.06 g/mol
LogP6.19
Rot. Bonds8

About 4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide

4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 3318602) has the molecular formula C29H26ClN3O4S and a molecular weight of 548.06 g/mol. Its IUPAC name is 4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID3318602
Molecular FormulaC29H26ClN3O4S
Molecular Weight548.06 g/mol
Exact Mass547.13
IUPAC Name4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C29H26ClN3O4S/c1-19-9-8-12-23(17-19)33-38(36,37)27-18-22(15-16-25(27)30)28(34)32-26-14-7-6-13-24(26)29(35)31-20(2)21-10-4-3-5-11-21/h3-18,20,33H,1-2H3,(H,31,35)(H,32,34)
InChIKeyICVPOQDTXGRJIJ-UHFFFAOYSA-N
XLogP6.19
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.06
LogP ≤ 56.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
4-chloro-N-[(R)-(2-methylphenyl)-phenylmethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92678457
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 126415438
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 126388612
3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2079648
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 4239611
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 94013133
4-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 94013134
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide (CID 3318602) is 4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)c3ccccc3)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is ICVPOQDTXGRJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN3O4S/c1-19-9-8-12-23(17-19)33-38(36,37)27-18-22(15-16-25(27)30)28(34)32-26-14-7-6-13-24(26)29(35)31-20(2)21-10-4-3-5-11-21/h3-18,20,33H,1-2H3,(H,31,35)(H,32,34).
What are the key properties of 4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 548.06 g/mol, XLogP of 6.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 3318602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).