3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide

C12H11N3O4S — CID 2887049

IUPAC3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C12H11N3O4S/c16-15(17)11-5-3-6-12(8-11)20(18,19)14-9-10-4-1-2-7-13-10/h1-8,14H,9H2
InChIKeyTXDLKPNUCIACMU-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.47
Rot. Bonds5

About 3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 2887049) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID2887049
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C12H11N3O4S/c16-15(17)11-5-3-6-12(8-11)20(18,19)14-9-10-4-1-2-7-13-10/h1-8,14H,9H2
InChIKeyTXDLKPNUCIACMU-UHFFFAOYSA-N
XLogP1.47
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
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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Related Compounds

4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
4-nitro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 714395
2-nitro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 4915935
3-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 3136220
N-3-Pyridylbenzenesulfonamide
CID 339079
4-nitro-N-(pyridin-2-yl)benzenesulfonamide
CID 611709
5-Nitro-2-(phenylsulfonyl)pyridine
CID 1477595
2-nitro-N-(pyridin-3-yl)benzenesulfonamide
CID 2164527
4-(3,5-Dinitro-pyridin-4-ylamino)-benzenesulfonamide
CID 3097925
5-Nitro-2-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 4024981
4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 4780636

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 2887049) is 3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is TXDLKPNUCIACMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c16-15(17)11-5-3-6-12(8-11)20(18,19)14-9-10-4-1-2-7-13-10/h1-8,14H,9H2.
What are the key properties of 3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 293.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2887049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).