5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide

C21H19ClN2O3S — CID 28575633

IUPAC5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-10-15(2)12-17(11-14)23-21(25)19-13-16(8-9-20(19)22)24-28(26,27)18-6-4-3-5-7-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyCGVXEMUQRLMXDR-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

About 5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide

5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide (PubChem CID 28575633) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
PubChem CID28575633
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-10-15(2)12-17(11-14)23-21(25)19-13-16(8-9-20(19)22)24-28(26,27)18-6-4-3-5-7-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyCGVXEMUQRLMXDR-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

5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 1020081
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 28572809
5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 28634197
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide (CID 28575633) is 5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide is Cc1cc(C)cc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1.
What is the InChIKey of 5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide?
The InChIKey is CGVXEMUQRLMXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-10-15(2)12-17(11-14)23-21(25)19-13-16(8-9-20(19)22)24-28(26,27)18-6-4-3-5-7-18/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide?
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)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 5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 28575633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).