2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine

C7H10N4O4S — CID 71618017

IUPAC2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine
SMILESN/C(=N\S(=O)(=O)c1ccccc1)NN(O)O
InChIInChI=1S/C7H10N4O4S/c8-7(9-11(12)13)10-16(14,15)6-4-2-1-3-5-6/h1-5,12-13H,(H3,8,9,10)
InChIKeyVMYHTJXELWPIJO-UHFFFAOYSA-N
MW246.25 g/mol
LogP-0.73
Rot. Bonds3

About 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine

2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine (PubChem CID 71618017) has the molecular formula C7H10N4O4S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine
PubChem CID71618017
Molecular FormulaC7H10N4O4S
Molecular Weight246.25 g/mol
Exact Mass246.04
IUPAC Name2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine
SMILESN/C(=N\S(=O)(=O)c1ccccc1)NN(O)O
InChIInChI=1S/C7H10N4O4S/c8-7(9-11(12)13)10-16(14,15)6-4-2-1-3-5-6/h1-5,12-13H,(H3,8,9,10)
InChIKeyVMYHTJXELWPIJO-UHFFFAOYSA-N
XLogP-0.73
TPSA128.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 5-0.73
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine
CID 4610108
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
2-(benzenesulfonyl)-1-pyridin-3-ylguanidine
CID 18770578
N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide
CID 34555254
phenyl N'-(benzenesulfonyl)carbamimidate
CID 70117116
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
CID 2842661
2-(benzenesulfonyl)-1-(1,3-benzothiazol-2-yl)guanidine
CID 155815563
N'-(benzenesulfonyl)piperidine-1-carboximidamide
CID 75092022
2-(benzenesulfonyl)ethene-1,1-diamine
CID 21311523
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502
methyl N'-(benzenesulfonyl)-N-phenylcarbamimidothioate
CID 56625383
methyl N'-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]carbamimidothioate
CID 44724565

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine?
The IUPAC name of 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine (CID 71618017) is 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine?
The canonical SMILES for 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine is N/C(=N\S(=O)(=O)c1ccccc1)NN(O)O.
What is the InChIKey of 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine?
The InChIKey is VMYHTJXELWPIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4S/c8-7(9-11(12)13)10-16(14,15)6-4-2-1-3-5-6/h1-5,12-13H,(H3,8,9,10).
What are the key properties of 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine?
2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine has a molecular weight of 246.25 g/mol, XLogP of -0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine is sourced from PubChem (CID 71618017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).