N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C15H23N3O3S — CID 2209250

IUPACN,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H23N3O3S/c1-3-5-9-18(10-6-4-2)22(20,21)12-7-8-13-14(11-12)17-15(19)16-13/h7-8,11H,3-6,9-10H2,1-2H3,(H2,16,17,19)
InChIKeyKZLAKSSQBUFKRM-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.45
Rot. Bonds8

About N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 2209250) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID2209250
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H23N3O3S/c1-3-5-9-18(10-6-4-2)22(20,21)12-7-8-13-14(11-12)17-15(19)16-13/h7-8,11H,3-6,9-10H2,1-2H3,(H2,16,17,19)
InChIKeyKZLAKSSQBUFKRM-UHFFFAOYSA-N
XLogP2.45
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-dibutyl-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

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 2209250) is N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is KZLAKSSQBUFKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-5-9-18(10-6-4-2)22(20,21)12-7-8-13-14(11-12)17-15(19)16-13/h7-8,11H,3-6,9-10H2,1-2H3,(H2,16,17,19).
What are the key properties of N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 2209250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).