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

C12H13ClN4O3S — CID 62999870

IUPAC2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1cc(NS(=O)(=O)c2cnc(C)[nH]2)ccc1Cl
InChIInChI=1S/C12H13ClN4O3S/c1-7-15-6-11(16-7)21(19,20)17-8-3-4-10(13)9(5-8)12(18)14-2/h3-6,17H,1-2H3,(H,14,18)(H,15,16)
InChIKeyPRMBLWGWCFKDMH-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.53
Rot. Bonds4

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

2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide (PubChem CID 62999870) has the molecular formula C12H13ClN4O3S and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
PubChem CID62999870
Molecular FormulaC12H13ClN4O3S
Molecular Weight328.78 g/mol
Exact Mass328.04
IUPAC Name2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1cc(NS(=O)(=O)c2cnc(C)[nH]2)ccc1Cl
InChIInChI=1S/C12H13ClN4O3S/c1-7-15-6-11(16-7)21(19,20)17-8-3-4-10(13)9(5-8)12(18)14-2/h3-6,17H,1-2H3,(H,14,18)(H,15,16)
InChIKeyPRMBLWGWCFKDMH-UHFFFAOYSA-N
XLogP1.53
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 63000377
N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 62997996
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
N-(4-fluorophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62998345
2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
CID 63000218
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 62999270
2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 63999221
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
N-(5-chloro-2-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997807
N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 77021130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide (CID 62999870) is 2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide is CNC(=O)c1cc(NS(=O)(=O)c2cnc(C)[nH]2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is PRMBLWGWCFKDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S/c1-7-15-6-11(16-7)21(19,20)17-8-3-4-10(13)9(5-8)12(18)14-2/h3-6,17H,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide?
2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 328.78 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 62999870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).