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

C9H11N3O4S — CID 2299075

IUPACN-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCO)cc2[nH]1
InChIInChI=1S/C9H11N3O4S/c13-4-3-10-17(15,16)6-1-2-7-8(5-6)12-9(14)11-7/h1-2,5,10,13H,3-4H2,(H2,11,12,14)
InChIKeySZUDLWGVZVFJNW-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.87
Rot. Bonds4

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

N-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 2299075) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID2299075
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC NameN-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCO)cc2[nH]1
InChIInChI=1S/C9H11N3O4S/c13-4-3-10-17(15,16)6-1-2-7-8(5-6)12-9(14)11-7/h1-2,5,10,13H,3-4H2,(H2,11,12,14)
InChIKeySZUDLWGVZVFJNW-UHFFFAOYSA-N
XLogP-0.87
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 2299075) is N-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCCO)cc2[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is SZUDLWGVZVFJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c13-4-3-10-17(15,16)6-1-2-7-8(5-6)12-9(14)11-7/h1-2,5,10,13H,3-4H2,(H2,11,12,14).
What are the key properties of N-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 257.27 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 2299075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).