N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C14H13N3O4S — CID 970419

IUPACN-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H13N3O4S/c1-21-13-5-3-2-4-11(13)17-22(19,20)9-6-7-10-12(8-9)16-14(18)15-10/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyPWVCZEXEZSYRCU-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.67
Rot. Bonds4

About N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 970419) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID970419
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H13N3O4S/c1-21-13-5-3-2-4-11(13)17-22(19,20)9-6-7-10-12(8-9)16-14(18)15-10/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyPWVCZEXEZSYRCU-UHFFFAOYSA-N
XLogP1.67
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
1-(2-Methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817798
N-(2-methoxyphenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide
CID 2384731
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 2957824
N-(2-Ethoxyphenyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 7586546
N-(3,4-dimethoxyphenyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 8582580
3-(2-Methoxyphenyl)-1-(4-sulfamoylphenyl)urea
CID 307522
2,5-dimethoxy-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 15990073
N-(2-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372216
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (4-methoxy-phenyl)-amide
CID 1093431
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (2-methoxy-phenyl)-amide
CID 1093433
N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 1242527

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 970419) is N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is PWVCZEXEZSYRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-21-13-5-3-2-4-11(13)17-22(19,20)9-6-7-10-12(8-9)16-14(18)15-10/h2-8,17H,1H3,(H2,15,16,18).
What are the key properties of N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 319.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 970419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).