4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide

C12H10N4O4S — CID 46498198

IUPAC4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C12H10N4O4S/c17-16(18)11-3-5-12(6-4-11)21(19,20)15-14-9-10-2-1-7-13-8-10/h1-9,15H/b14-9+
InChIKeyOSBCBUUWICVJSZ-NTEUORMPSA-N
MW306.30 g/mol
LogP1.30
Rot. Bonds5

About 4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide

4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide (PubChem CID 46498198) has the molecular formula C12H10N4O4S and a molecular weight of 306.30 g/mol. Its IUPAC name is 4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
PubChem CID46498198
Molecular FormulaC12H10N4O4S
Molecular Weight306.30 g/mol
Exact Mass306.04
IUPAC Name4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C12H10N4O4S/c17-16(18)11-3-5-12(6-4-11)21(19,20)15-14-9-10-2-1-7-13-8-10/h1-9,15H/b14-9+
InChIKeyOSBCBUUWICVJSZ-NTEUORMPSA-N
XLogP1.30
TPSA114.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 6898358
4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide
CID 27484544
4-bromo-N-[(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1027931
4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
CID 842353
4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 136851968
N-[(3-nitrophenyl)methylideneamino]-4-phenoxybenzenesulfonamide
CID 3891977
N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135958010
2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 110517932
N-(4-methoxyphenyl)-5-nitro-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 6304428
N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
CID 842355
3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110517562
N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine
CID 19173128

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide (CID 46498198) is 4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2cccnc2)cc1.
What is the InChIKey of 4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
The InChIKey is OSBCBUUWICVJSZ-NTEUORMPSA-N. The full InChI is InChI=1S/C12H10N4O4S/c17-16(18)11-3-5-12(6-4-11)21(19,20)15-14-9-10-2-1-7-13-8-10/h1-9,15H/b14-9+.
What are the key properties of 4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide?
4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide has a molecular weight of 306.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 46498198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).