N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide

C12H14N4O3S — CID 62997996

IUPACN-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2cnc(C)[nH]2)cc1
InChIInChI=1S/C12H14N4O3S/c1-8-14-7-11(15-8)20(18,19)16-10-5-3-9(4-6-10)12(17)13-2/h3-7,16H,1-2H3,(H,13,17)(H,14,15)
InChIKeyRTSDVTNHXMZEMN-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.88
Rot. Bonds4

About N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide

N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide (PubChem CID 62997996) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
PubChem CID62997996
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2cnc(C)[nH]2)cc1
InChIInChI=1S/C12H14N4O3S/c1-8-14-7-11(15-8)20(18,19)16-10-5-3-9(4-6-10)12(17)13-2/h3-7,16H,1-2H3,(H,13,17)(H,14,15)
InChIKeyRTSDVTNHXMZEMN-UHFFFAOYSA-N
XLogP0.88
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 62999870
N-(4-fluorophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62998345
N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 77021130
N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64786558
N-(3-hydroxy-4-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64794398
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 62999270
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
2-chloro-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 63000377
2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
CID 63000218
2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 63999221
2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide
CID 63000197

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide (CID 62997996) is N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide is CNC(=O)c1ccc(NS(=O)(=O)c2cnc(C)[nH]2)cc1.
What is the InChIKey of N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is RTSDVTNHXMZEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-14-7-11(15-8)20(18,19)16-10-5-3-9(4-6-10)12(17)13-2/h3-7,16H,1-2H3,(H,13,17)(H,14,15).
What are the key properties of N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide?
N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 294.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 62997996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).