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

C11H15N3O4S — CID 102697434

IUPACN-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N3O4S/c1-7(18-2)6-12-19(16,17)8-3-4-9-10(5-8)14-11(15)13-9/h3-5,7,12H,6H2,1-2H3,(H2,13,14,15)
InChIKeyKAJXFCXFRAXTGS-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.17
Rot. Bonds5

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

N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 102697434) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID102697434
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N3O4S/c1-7(18-2)6-12-19(16,17)8-3-4-9-10(5-8)14-11(15)13-9/h3-5,7,12H,6H2,1-2H3,(H2,13,14,15)
InChIKeyKAJXFCXFRAXTGS-UHFFFAOYSA-N
XLogP0.17
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110418054
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 126786263
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110672585
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110419561
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
N-(1-methoxypropan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25045600
4-(chloromethyl)-N-(2-methoxypropyl)-3-methylbenzenesulfonamide
CID 112737391
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
CID 2207002
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 102697434) is N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is COC(C)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is KAJXFCXFRAXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7(18-2)6-12-19(16,17)8-3-4-9-10(5-8)14-11(15)13-9/h3-5,7,12H,6H2,1-2H3,(H2,13,14,15).
What are the key properties of N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 102697434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).