N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C12H17N3O4S — CID 110418054

IUPACN-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H17N3O4S/c1-19-7-3-2-6-13-20(17,18)9-4-5-10-11(8-9)15-12(16)14-10/h4-5,8,13H,2-3,6-7H2,1H3,(H2,14,15,16)
InChIKeyOTZJTTOXBIOLFX-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.56
Rot. Bonds7

About N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110418054) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110418054
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H17N3O4S/c1-19-7-3-2-6-13-20(17,18)9-4-5-10-11(8-9)15-12(16)14-10/h4-5,8,13H,2-3,6-7H2,1H3,(H2,14,15,16)
InChIKeyOTZJTTOXBIOLFX-UHFFFAOYSA-N
XLogP0.56
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butyl]acetamide
CID 110417592
N-[4-(2-methoxyphenyl)butyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110409215
N-[3-(diethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 18525278
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate
CID 7263204
N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 102697434
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
CID 2207002
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110672585
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
CID 110630632
N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106092787

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110418054) is N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is COCCCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is OTZJTTOXBIOLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-19-7-3-2-6-13-20(17,18)9-4-5-10-11(8-9)15-12(16)14-10/h4-5,8,13H,2-3,6-7H2,1H3,(H2,14,15,16).
What are the key properties of N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 299.35 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110418054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).