4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide

C12H11N3O4S — CID 2933534

IUPAC4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C12H11N3O4S/c1-9-2-5-11(6-3-9)20(18,19)14-12-7-4-10(8-13-12)15(16)17/h2-8H,1H3,(H,13,14)
InChIKeyNRJYXDGOFKYSCZ-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.10
Rot. Bonds4

About 4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide

4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide (PubChem CID 2933534) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide
PubChem CID2933534
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C12H11N3O4S/c1-9-2-5-11(6-3-9)20(18,19)14-12-7-4-10(8-13-12)15(16)17/h2-8H,1H3,(H,13,14)
InChIKeyNRJYXDGOFKYSCZ-UHFFFAOYSA-N
XLogP2.10
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide (CID 2933534) is 4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide?
The InChIKey is NRJYXDGOFKYSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-9-2-5-11(6-3-9)20(18,19)14-12-7-4-10(8-13-12)15(16)17/h2-8H,1H3,(H,13,14).
What are the key properties of 4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide?
4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide has a molecular weight of 293.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-nitro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 2933534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).