N-[(2-nitrophenyl)methylidene]benzenesulfonamide

C13H10N2O4S — CID 27877970

IUPACN-[(2-nitrophenyl)methylidene]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1C=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10N2O4S/c16-15(17)13-9-5-4-6-11(13)10-14-20(18,19)12-7-2-1-3-8-12/h1-10H
InChIKeyCSLGDERKGLHHPA-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.40
Rot. Bonds4

About N-[(2-nitrophenyl)methylidene]benzenesulfonamide

N-[(2-nitrophenyl)methylidene]benzenesulfonamide (PubChem CID 27877970) has the molecular formula C13H10N2O4S and a molecular weight of 290.30 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methylidene]benzenesulfonamide
PubChem CID27877970
Molecular FormulaC13H10N2O4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC NameN-[(2-nitrophenyl)methylidene]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1C=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10N2O4S/c16-15(17)13-9-5-4-6-11(13)10-14-20(18,19)12-7-2-1-3-8-12/h1-10H
InChIKeyCSLGDERKGLHHPA-UHFFFAOYSA-N
XLogP2.40
TPSA89.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(NZ)-N-benzylidene-4-nitrobenzenesulfonamide
CID 6045437
N-[(3-nitrophenyl)methylidene]benzenesulfonamide
CID 85437032
(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide
CID 110518805
N-[(2-nitrophenyl)methylideneamino]formamide
CID 2795189
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
sodium 2-nitrobenzaldehyde
CID 23669302
2-(2-nitrophenyl)ethenesulfonyl chloride
CID 54483886
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
ethane;2-nitrobenzaldehyde
CID 91029364
4-tert-butyl-N-[(2-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1325154
N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine
CID 794546
2-(benzenesulfonyl)-3-(2-nitrophenyl)-3-[(2-nitrophenyl)methylideneamino]-1-phenylpropan-1-one
CID 10482495

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methylidene]benzenesulfonamide?
The IUPAC name of N-[(2-nitrophenyl)methylidene]benzenesulfonamide (CID 27877970) is N-[(2-nitrophenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for N-[(2-nitrophenyl)methylidene]benzenesulfonamide?
The canonical SMILES for N-[(2-nitrophenyl)methylidene]benzenesulfonamide is O=[N+]([O-])c1ccccc1C=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2-nitrophenyl)methylidene]benzenesulfonamide?
The InChIKey is CSLGDERKGLHHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S/c16-15(17)13-9-5-4-6-11(13)10-14-20(18,19)12-7-2-1-3-8-12/h1-10H.
What are the key properties of N-[(2-nitrophenyl)methylidene]benzenesulfonamide?
N-[(2-nitrophenyl)methylidene]benzenesulfonamide has a molecular weight of 290.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 27877970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).