4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide

C12H15N5O2S — CID 104710764

IUPAC4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CNS(=O)(=O)c2ccnn2C)cc1
InChIInChI=1S/C12H15N5O2S/c1-17-11(6-7-15-17)20(18,19)16-8-9-2-4-10(5-3-9)12(13)14/h2-7,16H,8H2,1H3,(H3,13,14)
InChIKeyQZPDNURBRYEEMR-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.18
Rot. Bonds5

About 4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide

4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide (PubChem CID 104710764) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide
PubChem CID104710764
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CNS(=O)(=O)c2ccnn2C)cc1
InChIInChI=1S/C12H15N5O2S/c1-17-11(6-7-15-17)20(18,19)16-8-9-2-4-10(5-3-9)12(13)14/h2-7,16H,8H2,1H3,(H3,13,14)
InChIKeyQZPDNURBRYEEMR-UHFFFAOYSA-N
XLogP0.18
TPSA113.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 113444065
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783
5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 104709706
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide
CID 114813447
N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
CID 107848847
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 104710096
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
CID 104710231
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide
CID 128995357
N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
CID 107322765

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide (CID 104710764) is 4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CNS(=O)(=O)c2ccnn2C)cc1.
What is the InChIKey of 4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide?
The InChIKey is QZPDNURBRYEEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-17-11(6-7-15-17)20(18,19)16-8-9-2-4-10(5-3-9)12(13)14/h2-7,16H,8H2,1H3,(H3,13,14).
What are the key properties of 4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide?
4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide has a molecular weight of 293.35 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 104710764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).