2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide

C16H18N2O3S — CID 3439524

IUPAC2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-3-6-13(7-4-11)10-18-22(20,21)14-8-5-12(2)15(9-14)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19)
InChIKeyKRDAAULJQOTOJR-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.88
Rot. Bonds5

About 2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide

2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 3439524) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
PubChem CID3439524
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-3-6-13(7-4-11)10-18-22(20,21)14-8-5-12(2)15(9-14)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19)
InChIKeyKRDAAULJQOTOJR-UHFFFAOYSA-N
XLogP1.88
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide
CID 61003075
5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 103836901
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3476916
3-[(3-carbamoyl-4-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62675880
2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide
CID 43606850
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 104858816
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide
CID 104593933
5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120717421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of 2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide (CID 3439524) is 2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for 2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide is Cc1ccc(CNS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1.
What is the InChIKey of 2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is KRDAAULJQOTOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-3-6-13(7-4-11)10-18-22(20,21)14-8-5-12(2)15(9-14)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19).
What are the key properties of 2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 318.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 3439524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).