2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide

C12H11N3O4S — CID 3108165

IUPAC2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C12H11N3O4S/c1-9-5-6-10(15(16)17)8-11(9)20(18,19)14-12-4-2-3-7-13-12/h2-8H,1H3,(H,13,14)
InChIKeyDQQOMEKCVFTQMA-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.10
Rot. Bonds4

About 2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide

2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 3108165) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide
PubChem CID3108165
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C12H11N3O4S/c1-9-5-6-10(15(16)17)8-11(9)20(18,19)14-12-4-2-3-7-13-12/h2-8H,1H3,(H,13,14)
InChIKeyDQQOMEKCVFTQMA-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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Related Compounds

N-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
3-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 3136220
4-nitro-N-(pyridin-2-yl)benzenesulfonamide
CID 611709
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
N-(6-methylpyridin-2-yl)-3-nitrobenzenesulfonamide
CID 3105428
4-methyl-3-nitro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 4918227
3-nitro-N-[(E)-1-pyridin-3-ylethylideneamino]benzenesulfonamide
CID 9646180
2,4,6-trimethyl-N-pyridin-2-ylbenzenesulfonamide
CID 798911
4-amino-N-(5-methyl-2-pyridinyl)Benzenesulfonamide
CID 3663786
4-methyl-3-nitro-N-(pyridin-2-yl)benzenesulfonamide
CID 2836751
2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide
CID 2920893
3-nitro-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237438

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide (CID 3108165) is 2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccn1.
What is the InChIKey of 2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is DQQOMEKCVFTQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-9-5-6-10(15(16)17)8-11(9)20(18,19)14-12-4-2-3-7-13-12/h2-8H,1H3,(H,13,14).
What are the key properties of 2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide?
2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide 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 2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 3108165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).