2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide

C12H12N4O4S — CID 62150398

IUPAC2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide
SMILESCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C12H12N4O4S/c1-13-11-5-4-10(16(17)18)7-12(11)21(19,20)15-9-3-2-6-14-8-9/h2-8,13,15H,1H3
InChIKeyYSTGQHFISHZVBD-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.83
Rot. Bonds5

About 2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide

2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 62150398) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide
PubChem CID62150398
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide
SMILESCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C12H12N4O4S/c1-13-11-5-4-10(16(17)18)7-12(11)21(19,20)15-9-3-2-6-14-8-9/h2-8,13,15H,1H3
InChIKeyYSTGQHFISHZVBD-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

N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62150039
2-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 70868021
N-(4-methoxyphenyl)-5-nitro-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 6304428
4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 1355803
5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide
CID 80747191
methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate
CID 46276499
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 107586582
3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 59982411
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(1-pyridin-3-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6080364
N-(2,2-dimethylcyclopropyl)-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62157307
N-[2-(dimethylamino)propyl]-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62158813
4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 43217817

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide (CID 62150398) is 2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide is CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is YSTGQHFISHZVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c1-13-11-5-4-10(16(17)18)7-12(11)21(19,20)15-9-3-2-6-14-8-9/h2-8,13,15H,1H3.
What are the key properties of 2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide?
2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide 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)-5-nitro-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 62150398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).