3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide

C12H15N5O3S — CID 77021138

IUPAC3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
SMILESCCc1ncc(S(=O)(=O)Nc2cccc(C(N)=NO)c2)[nH]1
InChIInChI=1S/C12H15N5O3S/c1-2-10-14-7-11(15-10)21(19,20)17-9-5-3-4-8(6-9)12(13)16-18/h3-7,17-18H,2H2,1H3,(H2,13,16)(H,14,15)
InChIKeyQFISNPIHIIWPDC-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.87
Rot. Bonds5

About 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide

3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 77021138) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID77021138
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
SMILESCCc1ncc(S(=O)(=O)Nc2cccc(C(N)=NO)c2)[nH]1
InChIInChI=1S/C12H15N5O3S/c1-2-10-14-7-11(15-10)21(19,20)17-9-5-3-4-8(6-9)12(13)16-18/h3-7,17-18H,2H2,1H3,(H2,13,16)(H,14,15)
InChIKeyQFISNPIHIIWPDC-UHFFFAOYSA-N
XLogP0.87
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.87
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-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide (CID 77021138) is 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide is CCc1ncc(S(=O)(=O)Nc2cccc(C(N)=NO)c2)[nH]1.
What is the InChIKey of 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is QFISNPIHIIWPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-2-10-14-7-11(15-10)21(19,20)17-9-5-3-4-8(6-9)12(13)16-18/h3-7,17-18H,2H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 309.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77021138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).