N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide

C16H18ClN3O3S — CID 9163777

IUPACN-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)NN(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c1-11-7-8-12(16(21)18-20(2)3)9-15(11)24(22,23)19-14-6-4-5-13(17)10-14/h4-10,19H,1-3H3,(H,18,21)
InChIKeyXLJNVJXRBUOLFJ-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.66
Rot. Bonds5

About N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide

N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide (PubChem CID 9163777) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide
PubChem CID9163777
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)NN(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c1-11-7-8-12(16(21)18-20(2)3)9-15(11)24(22,23)19-14-6-4-5-13(17)10-14/h4-10,19H,1-3H3,(H,18,21)
InChIKeyXLJNVJXRBUOLFJ-UHFFFAOYSA-N
XLogP2.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.66
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-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide
CID 119433918
3-[[3-[(3-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-4-methylbenzoic acid
CID 24502076
N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 9314553
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-6-methylpyridine-3-carboxamide
CID 38020627
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 166185338
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
3-[(3-bromophenyl)sulfamoyl]-4-methylbenzoate
CID 8822291
N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 26721810

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide (CID 9163777) is N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide is Cc1ccc(C(=O)NN(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide?
The InChIKey is XLJNVJXRBUOLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-11-7-8-12(16(21)18-20(2)3)9-15(11)24(22,23)19-14-6-4-5-13(17)10-14/h4-10,19H,1-3H3,(H,18,21).
What are the key properties of N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide?
N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide has a molecular weight of 367.86 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 9163777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).