2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide

C21H19ClN2O3S — CID 1310313

IUPAC2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-5-3-7-16(11-14)23-21(25)19-13-18(9-10-20(19)22)28(26,27)24-17-8-4-6-15(2)12-17/h3-13,24H,1-2H3,(H,23,25)
InChIKeyRCNGTTRRNVYROS-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

About 2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide

2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 1310313) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID1310313
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-5-3-7-16(11-14)23-21(25)19-13-18(9-10-20(19)22)28(26,27)24-17-8-4-6-15(2)12-17/h3-13,24H,1-2H3,(H,23,25)
InChIKeyRCNGTTRRNVYROS-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-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide
CID 3092265
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide (CID 1310313) is 2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is RCNGTTRRNVYROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-5-3-7-16(11-14)23-21(25)19-13-18(9-10-20(19)22)28(26,27)24-17-8-4-6-15(2)12-17/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide?
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]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 2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 1310313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).