2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide

C12H12N4O4S — CID 107586582

IUPAC2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N)c1
InChIInChI=1S/C12H12N4O4S/c1-8-4-9(7-14-6-8)15-21(19,20)12-5-10(16(17)18)2-3-11(12)13/h2-7,15H,13H2,1H3
InChIKeyJSXMJMHVOYQEAQ-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.68
Rot. Bonds4

About 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide

2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide (PubChem CID 107586582) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
PubChem CID107586582
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N)c1
InChIInChI=1S/C12H12N4O4S/c1-8-4-9(7-14-6-8)15-21(19,20)12-5-10(16(17)18)2-3-11(12)13/h2-7,15H,13H2,1H3
InChIKeyJSXMJMHVOYQEAQ-UHFFFAOYSA-N
XLogP1.68
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589863
4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584526
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide
CID 62145197
N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
CID 60792562
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584553
2-amino-N-tert-butyl-5-nitrobenzenesulfonamide
CID 62148445
2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
CID 102807196
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide (CID 107586582) is 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide is Cc1cncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N)c1.
What is the InChIKey of 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide?
The InChIKey is JSXMJMHVOYQEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c1-8-4-9(7-14-6-8)15-21(19,20)12-5-10(16(17)18)2-3-11(12)13/h2-7,15H,13H2,1H3.
What are the key properties of 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide?
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide has a molecular weight of 308.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 107586582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).