6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C12H12N4O4S — CID 51703439

IUPAC6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2C)no1
InChIInChI=1S/C12H12N4O4S/c1-6-3-8-9(14-12(17)13-8)5-10(6)21(18,19)16-11-4-7(2)20-15-11/h3-5H,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyXKHPABUMINGZKX-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.26
Rot. Bonds3

About 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 51703439) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID51703439
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2C)no1
InChIInChI=1S/C12H12N4O4S/c1-6-3-8-9(14-12(17)13-8)5-10(6)21(18,19)16-11-4-7(2)20-15-11/h3-5H,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyXKHPABUMINGZKX-UHFFFAOYSA-N
XLogP1.26
TPSA120.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 167850393
2,3,4,5,6-pentamethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 8519153
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695075
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974264
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 717534
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]acetamide
CID 110605050
5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2436322
2-amino-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 62149534
4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22411411
3-amino-5-bromo-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378523
3-amino-5-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378522
7-methyl-N-(4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20914020

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 51703439) is 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2C)no1.
What is the InChIKey of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is XKHPABUMINGZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c1-6-3-8-9(14-12(17)13-8)5-10(6)21(18,19)16-11-4-7(2)20-15-11/h3-5H,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 308.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 51703439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).