N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide

C16H18N2O3S — CID 51163000

IUPACN,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C
InChIInChI=1S/C16H18N2O3S/c1-11-4-7-13(8-5-11)18-22(20,21)14-9-6-12(2)15(10-14)16(19)17-3/h4-10,18H,1-3H3,(H,17,19)
InChIKeyMHZFQVHQYZLAFD-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.46
Rot. Bonds4

About N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide

N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 51163000) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID51163000
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C
InChIInChI=1S/C16H18N2O3S/c1-11-4-7-13(8-5-11)18-22(20,21)14-9-6-12(2)15(10-14)16(19)17-3/h4-10,18H,1-3H3,(H,17,19)
InChIKeyMHZFQVHQYZLAFD-UHFFFAOYSA-N
XLogP2.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119630221
N-(cyclopropylmethyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 24670405
N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 119499223
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886954
N-[2-(benzylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 36698057
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 55347863
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide (CID 51163000) is N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide is CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C.
What is the InChIKey of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is MHZFQVHQYZLAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-4-7-13(8-5-11)18-22(20,21)14-9-6-12(2)15(10-14)16(19)17-3/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 51163000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).