2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide

C11H13N5O2S — CID 107806177

IUPAC2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H13N5O2S/c1-7-3-2-4-8(10(7)11(12)13)16-19(17,18)9-5-6-14-15-9/h2-6,16H,1H3,(H3,12,13)(H,14,15)
InChIKeyDTASPRBVDIRHKK-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.80
Rot. Bonds4

About 2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide

2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide (PubChem CID 107806177) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
PubChem CID107806177
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H13N5O2S/c1-7-3-2-4-8(10(7)11(12)13)16-19(17,18)9-5-6-14-15-9/h2-6,16H,1H3,(H3,12,13)(H,14,15)
InChIKeyDTASPRBVDIRHKK-UHFFFAOYSA-N
XLogP0.80
TPSA124.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarbothioamide
CID 107799115
2-methyl-6-(sulfamoylamino)benzenecarboximidamide
CID 107806238
2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide
CID 107806235
2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide
CID 107806205
4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 102694175
3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692470
2-methyl-6-(4,4,4-trifluorobutylsulfonylamino)benzenecarboximidamide
CID 107806229
2,6-dimethylbenzenecarboximidamide
CID 5047790
N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691585
N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575
N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide
CID 102693349
N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The IUPAC name of 2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide (CID 107806177) is 2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide.
What is the SMILES notation for 2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The canonical SMILES for 2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide is [H]/N=C(\N)c1c(C)cccc1NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The InChIKey is DTASPRBVDIRHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-7-3-2-4-8(10(7)11(12)13)16-19(17,18)9-5-6-14-15-9/h2-6,16H,1H3,(H3,12,13)(H,14,15).
What are the key properties of 2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide has a molecular weight of 279.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide is sourced from PubChem (CID 107806177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).