1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide

C12H14N4O3S — CID 116786572

IUPAC1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H14N4O3S/c13-7-9-2-1-3-10(6-9)8-20(18,19)16-11-4-5-12(17)15-14-11/h1-6H,7-8,13H2,(H,14,16)(H,15,17)
InChIKeyGHYUWGDNWWCIAV-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.17
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide (PubChem CID 116786572) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
PubChem CID116786572
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H14N4O3S/c13-7-9-2-1-3-10(6-9)8-20(18,19)16-11-4-5-12(17)15-14-11/h1-6H,7-8,13H2,(H,14,16)(H,15,17)
InChIKeyGHYUWGDNWWCIAV-UHFFFAOYSA-N
XLogP0.17
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.17
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
1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
CID 106070788
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide
CID 60978443
5-(aminomethyl)-2,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081824
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 60979279
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
CID 54885816
1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 116786583
1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 106037003
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide (CID 116786572) is 1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide is NCc1cccc(CS(=O)(=O)Nc2ccc(=O)[nH]n2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide?
The InChIKey is GHYUWGDNWWCIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c13-7-9-2-1-3-10(6-9)8-20(18,19)16-11-4-5-12(17)15-14-11/h1-6H,7-8,13H2,(H,14,16)(H,15,17).
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide has a molecular weight of 294.34 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide is sourced from PubChem (CID 116786572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).