N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide

C13H15N3O3S — CID 167830776

IUPACN-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide
SMILESCNC(=O)c1ccc(CS(=O)(=O)c2cncn2C)cc1
InChIInChI=1S/C13H15N3O3S/c1-14-13(17)11-5-3-10(4-6-11)8-20(18,19)12-7-15-9-16(12)2/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyOBZFEPRRNFHSFT-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.75
Rot. Bonds4

About N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide

N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide (PubChem CID 167830776) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide
PubChem CID167830776
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide
SMILESCNC(=O)c1ccc(CS(=O)(=O)c2cncn2C)cc1
InChIInChI=1S/C13H15N3O3S/c1-14-13(17)11-5-3-10(4-6-11)8-20(18,19)12-7-15-9-16(12)2/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyOBZFEPRRNFHSFT-UHFFFAOYSA-N
XLogP0.75
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium [4-(methylcarbamoyl)phenyl]methanesulfonate
CID 59940234
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide
CID 167907095
ethane;N-methyl-4-(2-oxopropyl)benzamide
CID 170580328
N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide
CID 66130279
N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide
CID 66118950
N-methyl-3-(pyrazolo[1,5-a]pyridin-7-ylsulfonylmethyl)benzamide
CID 167801858
N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide
CID 54888919
3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
CID 9418541
2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 87024503
N-methyl-4-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 71133573
4-(cyanomethylsulfonylmethyl)-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 9429063

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide?
The IUPAC name of N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide (CID 167830776) is N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide.
What is the SMILES notation for N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide?
The canonical SMILES for N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide is CNC(=O)c1ccc(CS(=O)(=O)c2cncn2C)cc1.
What is the InChIKey of N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide?
The InChIKey is OBZFEPRRNFHSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-14-13(17)11-5-3-10(4-6-11)8-20(18,19)12-7-15-9-16(12)2/h3-7,9H,8H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide?
N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide has a molecular weight of 293.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide is sourced from PubChem (CID 167830776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).