3-(2-phenylethenylsulfonyl)benzenecarboximidamide

C15H14N2O2S — CID 57223238

IUPAC3-(2-phenylethenylsulfonyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(S(=O)(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C15H14N2O2S/c16-15(17)13-7-4-8-14(11-13)20(18,19)10-9-12-5-2-1-3-6-12/h1-11H,(H3,16,17)
InChIKeyDHYCASWETRXVPZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.42
Rot. Bonds4

About 3-(2-phenylethenylsulfonyl)benzenecarboximidamide

3-(2-phenylethenylsulfonyl)benzenecarboximidamide (PubChem CID 57223238) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(2-phenylethenylsulfonyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(2-phenylethenylsulfonyl)benzenecarboximidamide
PubChem CID57223238
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-(2-phenylethenylsulfonyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(S(=O)(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C15H14N2O2S/c16-15(17)13-7-4-8-14(11-13)20(18,19)10-9-12-5-2-1-3-6-12/h1-11H,(H3,16,17)
InChIKeyDHYCASWETRXVPZ-UHFFFAOYSA-N
XLogP2.42
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(2-phenylethenylsulfonylmethyl)benzenecarboximidamide
CID 57002364
3-(phenylsulfamoyl)benzenecarboximidamide
CID 71451445
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
(E)-3-(3-carbamimidoylphenyl)prop-2-enoic acid
CID 119091443
4-(3-carbamimidoylphenyl)but-3-enoic acid
CID 170483511
3-(4-oxobut-1-enyl)benzenecarboximidamide
CID 170481809
3-[(1-amino-2-phenylethyl)-hydroxysulfamoyl]benzenecarboximidamide
CID 87901933
3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide
CID 141318088
2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid
CID 158288860
benzenecarboximidamide;sulfane
CID 172701796
1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
CID 175536541
1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene
CID 149234765

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenylsulfonyl)benzenecarboximidamide?
The IUPAC name of 3-(2-phenylethenylsulfonyl)benzenecarboximidamide (CID 57223238) is 3-(2-phenylethenylsulfonyl)benzenecarboximidamide.
What is the SMILES notation for 3-(2-phenylethenylsulfonyl)benzenecarboximidamide?
The canonical SMILES for 3-(2-phenylethenylsulfonyl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(S(=O)(=O)C=Cc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylethenylsulfonyl)benzenecarboximidamide?
The InChIKey is DHYCASWETRXVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-15(17)13-7-4-8-14(11-13)20(18,19)10-9-12-5-2-1-3-6-12/h1-11H,(H3,16,17).
What are the key properties of 3-(2-phenylethenylsulfonyl)benzenecarboximidamide?
3-(2-phenylethenylsulfonyl)benzenecarboximidamide has a molecular weight of 286.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenylsulfonyl)benzenecarboximidamide is sourced from PubChem (CID 57223238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).