4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide

C14H12N4O2S — CID 116787332

IUPAC4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccnn2)c2ccccc12
InChIInChI=1S/C14H12N4O2S/c15-12-7-8-13(11-5-2-1-4-10(11)12)21(19,20)18-14-6-3-9-16-17-14/h1-9H,15H2,(H,17,18)
InChIKeyBJXHTEYQJXDDJA-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.01
Rot. Bonds3

About 4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide

4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide (PubChem CID 116787332) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide
PubChem CID116787332
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccnn2)c2ccccc12
InChIInChI=1S/C14H12N4O2S/c15-12-7-8-13(11-5-2-1-4-10(11)12)21(19,20)18-14-6-3-9-16-17-14/h1-9H,15H2,(H,17,18)
InChIKeyBJXHTEYQJXDDJA-UHFFFAOYSA-N
XLogP2.01
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-4-(pyridazin-3-ylsulfamoyl)benzoate
CID 116786194
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364
4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787794
5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786168
5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide
CID 116786187
4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 115944383
2-cyano-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 106596256
5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084095
2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid
CID 116786407
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 59436556

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide?
The IUPAC name of 4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide (CID 116787332) is 4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide is Nc1ccc(S(=O)(=O)Nc2cccnn2)c2ccccc12.
What is the InChIKey of 4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide?
The InChIKey is BJXHTEYQJXDDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-12-7-8-13(11-5-2-1-4-10(11)12)21(19,20)18-14-6-3-9-16-17-14/h1-9H,15H2,(H,17,18).
What are the key properties of 4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide?
4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide has a molecular weight of 300.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 116787332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).