2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide

C12H12N4O4S — CID 62143197

IUPAC2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccn1
InChIInChI=1S/C12H12N4O4S/c1-13-12-8-11(5-6-14-12)21(19,20)15-9-3-2-4-10(7-9)16(17)18/h2-8,15H,1H3,(H,13,14)
InChIKeyPCENXZMNKRKVIW-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.83
Rot. Bonds5

About 2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide

2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide (PubChem CID 62143197) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide
PubChem CID62143197
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccn1
InChIInChI=1S/C12H12N4O4S/c1-13-12-8-11(5-6-14-12)21(19,20)15-9-3-2-4-10(7-9)16(17)18/h2-8,15H,1H3,(H,13,14)
InChIKeyPCENXZMNKRKVIW-UHFFFAOYSA-N
XLogP1.83
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 55044083
N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62144171
N-(2-methyl-4-pyridinyl)-3-nitrobenzenesulfonamide
CID 110756916
2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide
CID 62164043
3-amino-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide
CID 22759589
N-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62811577
[3-[(3-nitrophenyl)sulfonylamino]phenyl]boronic acid
CID 52940009
N-(4-methylphenyl)-3-nitrobenzenesulfonamide;hydrate
CID 90481492
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 4647141
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 22202678
3-[(3-nitrophenyl)sulfonylamino]benzoate
CID 7452082
1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide
CID 22774102

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide (CID 62143197) is 2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccn1.
What is the InChIKey of 2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide?
The InChIKey is PCENXZMNKRKVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c1-13-12-8-11(5-6-14-12)21(19,20)15-9-3-2-4-10(7-9)16(17)18/h2-8,15H,1H3,(H,13,14).
What are the key properties of 2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide?
2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide has a molecular weight of 308.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 62143197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).