N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide

C21H19ClN2O3S — CID 9413988

IUPACN-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-14-9-11-18(12-10-14)28(26,27)24-17-6-3-5-16(13-17)21(25)23-20-8-4-7-19(22)15(20)2/h3-13,24H,1-2H3,(H,23,25)
InChIKeySLIPWFNJTBKKES-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide

N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 9413988) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID9413988
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-14-9-11-18(12-10-14)28(26,27)24-17-6-3-5-16(13-17)21(25)23-20-8-4-7-19(22)15(20)2/h3-13,24H,1-2H3,(H,23,25)
InChIKeySLIPWFNJTBKKES-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide
CID 36709710
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
CID 109061685
N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 9413988) is N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is SLIPWFNJTBKKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-9-11-18(12-10-14)28(26,27)24-17-6-3-5-16(13-17)21(25)23-20-8-4-7-19(22)15(20)2/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 414.91 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 9413988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).