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

C16H17N3O4S — CID 9318901

IUPAC2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H17N3O4S/c1-2-9-23-15-6-4-3-5-13(15)19-24(21,22)11-7-8-12-14(10-11)18-16(20)17-12/h3-8,10,19H,2,9H2,1H3,(H2,17,18,20)
InChIKeyGNGBUDLKPQULPQ-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.45
Rot. Bonds6

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

2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 9318901) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID9318901
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H17N3O4S/c1-2-9-23-15-6-4-3-5-13(15)19-24(21,22)11-7-8-12-14(10-11)18-16(20)17-12/h3-8,10,19H,2,9H2,1H3,(H2,17,18,20)
InChIKeyGNGBUDLKPQULPQ-UHFFFAOYSA-N
XLogP2.45
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide (CID 9318901) is 2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide is CCCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is GNGBUDLKPQULPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-2-9-23-15-6-4-3-5-13(15)19-24(21,22)11-7-8-12-14(10-11)18-16(20)17-12/h3-8,10,19H,2,9H2,1H3,(H2,17,18,20).
What are the key properties of 2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-propoxyphenyl)-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 9318901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).