N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide

C20H18ClN3O3S — CID 9479518

IUPACN-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
SMILESCN(NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C20H18ClN3O3S/c1-24(16-9-3-2-4-10-16)22-20(25)15-8-7-11-17(14-15)28(26,27)23-19-13-6-5-12-18(19)21/h2-14,23H,1H3,(H,22,25)
InChIKeyLTWZJCNUPHICTE-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.92
Rot. Bonds6

About N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide

N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide (PubChem CID 9479518) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
PubChem CID9479518
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC NameN-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
SMILESCN(NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C20H18ClN3O3S/c1-24(16-9-3-2-4-10-16)22-20(25)15-8-7-11-17(14-15)28(26,27)23-19-13-6-5-12-18(19)21/h2-14,23H,1H3,(H,22,25)
InChIKeyLTWZJCNUPHICTE-UHFFFAOYSA-N
XLogP3.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 31588662
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
3-[(butanoylamino)carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide
CID 24540511
3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
CID 97012345
3-[(2-chlorophenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 30859194
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 24539137

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide (CID 9479518) is N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide is CN(NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide?
The InChIKey is LTWZJCNUPHICTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-24(16-9-3-2-4-10-16)22-20(25)15-8-7-11-17(14-15)28(26,27)23-19-13-6-5-12-18(19)21/h2-14,23H,1H3,(H,22,25).
What are the key properties of N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide?
N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide has a molecular weight of 415.90 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 9479518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).