N'-hydroxy-3-methylsulfonylbenzenecarboximidamide

C8H10N2O3S — CID 76685351

IUPACN'-hydroxy-3-methylsulfonylbenzenecarboximidamide
SMILESCS(=O)(=O)c1cccc(C(N)=NO)c1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)7-4-2-3-6(5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKeyHUHXPIXGLDIYCA-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.18
Rot. Bonds2

About N'-hydroxy-3-methylsulfonylbenzenecarboximidamide

N'-hydroxy-3-methylsulfonylbenzenecarboximidamide (PubChem CID 76685351) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is N'-hydroxy-3-methylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methylsulfonylbenzenecarboximidamide
PubChem CID76685351
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC NameN'-hydroxy-3-methylsulfonylbenzenecarboximidamide
SMILESCS(=O)(=O)c1cccc(C(N)=NO)c1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)7-4-2-3-6(5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKeyHUHXPIXGLDIYCA-UHFFFAOYSA-N
XLogP0.18
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide
CID 23592571
(3-methylsulfonylbenzoyl)azanium
CID 163693398
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
methyl 3-methylsulfonylbenzoate
CID 6432252
3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
CID 123200565
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide
CID 54934612
3-[2-(but-3-yn-2-ylamino)ethylsulfonyl]-N'-hydroxybenzenecarboximidamide
CID 114417466
3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77017191
N-bromo-3-methylsulfonylbenzamide
CID 174925666
methyl (2R)-2-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 113257877
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methylsulfonylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methylsulfonylbenzenecarboximidamide (CID 76685351) is N'-hydroxy-3-methylsulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methylsulfonylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methylsulfonylbenzenecarboximidamide is CS(=O)(=O)c1cccc(C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-3-methylsulfonylbenzenecarboximidamide?
The InChIKey is HUHXPIXGLDIYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-14(12,13)7-4-2-3-6(5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-methylsulfonylbenzenecarboximidamide?
N'-hydroxy-3-methylsulfonylbenzenecarboximidamide has a molecular weight of 214.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 76685351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).