2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide

C13H13N3O4S — CID 2920893

IUPAC2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C13H13N3O4S/c1-9-5-6-14-13(7-9)15-21(19,20)12-8-11(16(17)18)4-3-10(12)2/h3-8H,1-2H3,(H,14,15)
InChIKeyZZVVQORHEHIUGI-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.41
Rot. Bonds4

About 2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide

2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide (PubChem CID 2920893) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide
PubChem CID2920893
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C13H13N3O4S/c1-9-5-6-14-13(7-9)15-21(19,20)12-8-11(16(17)18)4-3-10(12)2/h3-8H,1-2H3,(H,14,15)
InChIKeyZZVVQORHEHIUGI-UHFFFAOYSA-N
XLogP2.41
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.41
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-nitro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 714395
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
4-methyl-3-nitro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 4918227
3-nitro-N-[(E)-1-pyridin-3-ylethylideneamino]benzenesulfonamide
CID 9646180
4-methyl-3-nitro-N-(pyridin-2-yl)benzenesulfonamide
CID 2836751
4-methyl-3,5-dinitro-N-pyridin-4-ylbenzenesulfonamide
CID 3132237
3-nitro-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237438
2-methyl-5-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 3108165
4-Ethyl-N-2-pyridinylbenzenesulfonamide
CID 961408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide (CID 2920893) is 2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1.
What is the InChIKey of 2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide?
The InChIKey is ZZVVQORHEHIUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-9-5-6-14-13(7-9)15-21(19,20)12-8-11(16(17)18)4-3-10(12)2/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide?
2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide has a molecular weight of 307.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2-pyridinyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 2920893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).