N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide

C8H9N5O2S — CID 106897420

IUPACN-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccnn1)c1ccn[nH]1
InChIInChI=1S/C8H9N5O2S/c14-16(15,8-3-5-10-13-8)11-6-7-2-1-4-9-12-7/h1-5,11H,6H2,(H,10,13)
InChIKeyHLOMHDHPLSJQME-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.32
Rot. Bonds4

About N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide

N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106897420) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106897420
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC NameN-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccnn1)c1ccn[nH]1
InChIInChI=1S/C8H9N5O2S/c14-16(15,8-3-5-10-13-8)11-6-7-2-1-4-9-12-7/h1-5,11H,6H2,(H,10,13)
InChIKeyHLOMHDHPLSJQME-UHFFFAOYSA-N
XLogP-0.32
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide
CID 107652634
6-oxo-N-(pyridazin-3-ylmethyl)-1H-pyridine-3-sulfonamide
CID 106897421
N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102693228
4-(aminomethyl)-5-methyl-N-(pyridazin-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106089524
5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106089441
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106385117
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707
N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 102690992
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665

Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide (CID 106897420) is N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCc1cccnn1)c1ccn[nH]1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is HLOMHDHPLSJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c14-16(15,8-3-5-10-13-8)11-6-7-2-1-4-9-12-7/h1-5,11H,6H2,(H,10,13).
What are the key properties of N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 239.26 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106897420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).