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

C11H15N3O3S — CID 787615

IUPACN,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N3O3S/c1-3-14(4-2)18(16,17)8-5-6-9-10(7-8)13-11(15)12-9/h5-7H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyKUSAFIHTRLXIST-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.89
Rot. Bonds4

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

N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 787615) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID787615
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N3O3S/c1-3-14(4-2)18(16,17)8-5-6-9-10(7-8)13-11(15)12-9/h5-7H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyKUSAFIHTRLXIST-UHFFFAOYSA-N
XLogP0.89
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 787615) is N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is KUSAFIHTRLXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-3-14(4-2)18(16,17)8-5-6-9-10(7-8)13-11(15)12-9/h5-7H,3-4H2,1-2H3,(H2,12,13,15).
What are the key properties of N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 787615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).