2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide

C10H11N3O3S — CID 3151929

IUPAC2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O3S/c1-2-5-11-17(15,16)7-3-4-8-9(6-7)13-10(14)12-8/h2-4,6,11H,1,5H2,(H2,12,13,14)
InChIKeyJTVCBEHZJNVUQC-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.32
Rot. Bonds4

About 2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide

2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 3151929) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID3151929
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O3S/c1-2-5-11-17(15,16)7-3-4-8-9(6-7)13-10(14)12-8/h2-4,6,11H,1,5H2,(H2,12,13,14)
InChIKeyJTVCBEHZJNVUQC-UHFFFAOYSA-N
XLogP0.32
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Mls003106479
CID 3370705
4-[(Cyclopentylcarbamoyl)amino]benzenesulfonamide
CID 27870443
N-(3-methoxypropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 16193893
3-Methyl-1-(4-sulfamoylphenyl)urea
CID 280908
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-, sodium salt (1:1)
CID 3745949
3-Amino-n-methyl-4-(methylamino)benzenesulfonamide
CID 274142
(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonylamino)-acetic acid
CID 3158007
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
N-(4-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372090
4-(2-oxoimidazolidin-1-yl)-N-phenylbenzenesulfonamide
CID 53372354
N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56931425

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide (CID 3151929) is 2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide is C=CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is JTVCBEHZJNVUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-2-5-11-17(15,16)7-3-4-8-9(6-7)13-10(14)12-8/h2-4,6,11H,1,5H2,(H2,12,13,14).
What are the key properties of 2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 253.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-prop-2-enyl-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 3151929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).