2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide

C14H16N4O2S — CID 106084170

IUPAC2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnn1)c1ccccc1CNC1CC1
InChIInChI=1S/C14H16N4O2S/c19-21(20,18-14-6-3-9-16-17-14)13-5-2-1-4-11(13)10-15-12-7-8-12/h1-6,9,12,15H,7-8,10H2,(H,17,18)
InChIKeyCBYOHEFBEOFLNG-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.53
Rot. Bonds6

About 2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide

2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084170) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084170
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnn1)c1ccccc1CNC1CC1
InChIInChI=1S/C14H16N4O2S/c19-21(20,18-14-6-3-9-16-17-14)13-5-2-1-4-11(13)10-15-12-7-8-12/h1-6,9,12,15H,7-8,10H2,(H,17,18)
InChIKeyCBYOHEFBEOFLNG-UHFFFAOYSA-N
XLogP1.53
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine
CID 99822234
2-fluoro-5-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084027
2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084070
5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 106084076
2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084085
2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084086
5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084095
5-fluoro-2-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084116
3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084130
3-fluoro-2-methyl-5-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084136
5-(aminomethyl)-2,3-difluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084147
2,3-difluoro-5-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084148

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide (CID 106084170) is 2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnn1)c1ccccc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is CBYOHEFBEOFLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-21(20,18-14-6-3-9-16-17-14)13-5-2-1-4-11(13)10-15-12-7-8-12/h1-6,9,12,15H,7-8,10H2,(H,17,18).
What are the key properties of 2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide?
2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).