4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C13H16N4O3S — CID 106081762

IUPAC4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNCCCc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C13H16N4O3S/c14-9-1-2-10-3-5-11(6-4-10)21(19,20)17-12-7-8-13(18)16-15-12/h3-8H,1-2,9,14H2,(H,15,17)(H,16,18)
InChIKeyXZNDKJWWYWZAFT-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.46
Rot. Bonds6

About 4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 106081762) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID106081762
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESNCCCc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C13H16N4O3S/c14-9-1-2-10-3-5-11(6-4-10)21(19,20)17-12-7-8-13(18)16-15-12/h3-8H,1-2,9,14H2,(H,15,17)(H,16,18)
InChIKeyXZNDKJWWYWZAFT-UHFFFAOYSA-N
XLogP0.46
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786577
4-(2-chloroethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116787510
4-(3-aminoprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116787704
4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088618
4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide
CID 106029613
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775
4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033132
2-methyl-4-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzenecarbothioamide
CID 106920403
1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 116786583
5-(aminomethyl)-2,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081824
5-chloro-6-hydrazinyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide
CID 116787309
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 106081762) is 4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is NCCCc1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is XZNDKJWWYWZAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c14-9-1-2-10-3-5-11(6-4-10)21(19,20)17-12-7-8-13(18)16-15-12/h3-8H,1-2,9,14H2,(H,15,17)(H,16,18).
What are the key properties of 4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106081762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).