3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide

C10H10BrN5O3S — CID 107790817

IUPAC3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(NS(=O)(=O)c2ccn[nH]2)c(Br)c1
InChIInChI=1S/C10H10BrN5O3S/c11-7-5-6(10(12)15-17)1-2-8(7)16-20(18,19)9-3-4-13-14-9/h1-5,16-17H,(H2,12,15)(H,13,14)
InChIKeyRPQKASUMGBFCEU-UHFFFAOYSA-N
MW360.19 g/mol
LogP1.07
Rot. Bonds4

About 3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide

3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide (PubChem CID 107790817) has the molecular formula C10H10BrN5O3S and a molecular weight of 360.19 g/mol. Its IUPAC name is 3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
PubChem CID107790817
Molecular FormulaC10H10BrN5O3S
Molecular Weight360.19 g/mol
Exact Mass358.97
IUPAC Name3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(NS(=O)(=O)c2ccn[nH]2)c(Br)c1
InChIInChI=1S/C10H10BrN5O3S/c11-7-5-6(10(12)15-17)1-2-8(7)16-20(18,19)9-3-4-13-14-9/h1-5,16-17H,(H2,12,15)(H,13,14)
InChIKeyRPQKASUMGBFCEU-UHFFFAOYSA-N
XLogP1.07
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The IUPAC name of 3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide (CID 107790817) is 3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide is N/C(=N/O)c1ccc(NS(=O)(=O)c2ccn[nH]2)c(Br)c1.
What is the InChIKey of 3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The InChIKey is RPQKASUMGBFCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O3S/c11-7-5-6(10(12)15-17)1-2-8(7)16-20(18,19)9-3-4-13-14-9/h1-5,16-17H,(H2,12,15)(H,13,14).
What are the key properties of 3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide has a molecular weight of 360.19 g/mol, XLogP of 1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide is sourced from PubChem (CID 107790817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).