N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide

C15H15N3O3S — CID 2955763

IUPACN-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H15N3O3S/c1-2-18(11-6-4-3-5-7-11)22(20,21)12-8-9-13-14(10-12)17-15(19)16-13/h3-10H,2H2,1H3,(H2,16,17,19)
InChIKeyCEBFCODTYYCQPK-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.07
Rot. Bonds4

About N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide

N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 2955763) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID2955763
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H15N3O3S/c1-2-18(11-6-4-3-5-7-11)22(20,21)12-8-9-13-14(10-12)17-15(19)16-13/h3-10H,2H2,1H3,(H2,16,17,19)
InChIKeyCEBFCODTYYCQPK-UHFFFAOYSA-N
XLogP2.07
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide (CID 2955763) is N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is CEBFCODTYYCQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-2-18(11-6-4-3-5-7-11)22(20,21)12-8-9-13-14(10-12)17-15(19)16-13/h3-10H,2H2,1H3,(H2,16,17,19).
What are the key properties of N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide?
N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 2955763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).