4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C13H10N4O5S — CID 1251781

IUPAC4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH]1
InChIInChI=1S/C13H10N4O5S/c18-13-14-11-6-1-8(7-12(11)15-13)16-23(21,22)10-4-2-9(3-5-10)17(19)20/h1-7,16H,(H2,14,15,18)
InChIKeyDFJNAHZXFFHPDU-UHFFFAOYSA-N
MW334.31 g/mol
LogP1.57
Rot. Bonds4

About 4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 1251781) has the molecular formula C13H10N4O5S and a molecular weight of 334.31 g/mol. Its IUPAC name is 4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID1251781
Molecular FormulaC13H10N4O5S
Molecular Weight334.31 g/mol
Exact Mass334.04
IUPAC Name4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH]1
InChIInChI=1S/C13H10N4O5S/c18-13-14-11-6-1-8(7-12(11)15-13)16-23(21,22)10-4-2-9(3-5-10)17(19)20/h1-7,16H,(H2,14,15,18)
InChIKeyDFJNAHZXFFHPDU-UHFFFAOYSA-N
XLogP1.57
TPSA137.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 1251781) is 4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH]1.
What is the InChIKey of 4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is DFJNAHZXFFHPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O5S/c18-13-14-11-6-1-8(7-12(11)15-13)16-23(21,22)10-4-2-9(3-5-10)17(19)20/h1-7,16H,(H2,14,15,18).
What are the key properties of 4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 334.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 1251781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).