4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide

C10H11N5O2S — CID 102694175

IUPAC4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C10H11N5O2S/c11-10(12)7-1-3-8(4-2-7)15-18(16,17)9-5-6-13-14-9/h1-6,15H,(H3,11,12)(H,13,14)
InChIKeyGNSMDPYORGOCQY-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.49
Rot. Bonds4

About 4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide

4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide (PubChem CID 102694175) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
PubChem CID102694175
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C10H11N5O2S/c11-10(12)7-1-3-8(4-2-7)15-18(16,17)9-5-6-13-14-9/h1-6,15H,(H3,11,12)(H,13,14)
InChIKeyGNSMDPYORGOCQY-UHFFFAOYSA-N
XLogP0.49
TPSA124.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.49
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

4-(sulfamoylamino)benzenecarboximidamide
CID 114959670
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 107806177
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460
N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692588
2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692467
N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
3-[4-(1H-pyrazol-5-ylsulfonylamino)phenyl]butanoic acid
CID 102690958
4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide
CID 64989100
3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 107790817
N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692703

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The IUPAC name of 4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide (CID 102694175) is 4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide.
What is the SMILES notation for 4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The canonical SMILES for 4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1.
What is the InChIKey of 4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The InChIKey is GNSMDPYORGOCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c11-10(12)7-1-3-8(4-2-7)15-18(16,17)9-5-6-13-14-9/h1-6,15H,(H3,11,12)(H,13,14).
What are the key properties of 4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide has a molecular weight of 265.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide is sourced from PubChem (CID 102694175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).