4-(2-phenylethenylsulfonyl)benzenecarboximidamide

C15H14N2O2S — CID 57034256

IUPAC4-(2-phenylethenylsulfonyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(S(=O)(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C15H14N2O2S/c16-15(17)13-6-8-14(9-7-13)20(18,19)11-10-12-4-2-1-3-5-12/h1-11H,(H3,16,17)
InChIKeyBWOLKVFDFVWDPJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.42
Rot. Bonds4

About 4-(2-phenylethenylsulfonyl)benzenecarboximidamide

4-(2-phenylethenylsulfonyl)benzenecarboximidamide (PubChem CID 57034256) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-(2-phenylethenylsulfonyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2-phenylethenylsulfonyl)benzenecarboximidamide
PubChem CID57034256
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-(2-phenylethenylsulfonyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(S(=O)(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C15H14N2O2S/c16-15(17)13-6-8-14(9-7-13)20(18,19)11-10-12-4-2-1-3-5-12/h1-11H,(H3,16,17)
InChIKeyBWOLKVFDFVWDPJ-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenylsulfonyl)benzenecarboximidamide?
The IUPAC name of 4-(2-phenylethenylsulfonyl)benzenecarboximidamide (CID 57034256) is 4-(2-phenylethenylsulfonyl)benzenecarboximidamide.
What is the SMILES notation for 4-(2-phenylethenylsulfonyl)benzenecarboximidamide?
The canonical SMILES for 4-(2-phenylethenylsulfonyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(S(=O)(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethenylsulfonyl)benzenecarboximidamide?
The InChIKey is BWOLKVFDFVWDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-15(17)13-6-8-14(9-7-13)20(18,19)11-10-12-4-2-1-3-5-12/h1-11H,(H3,16,17).
What are the key properties of 4-(2-phenylethenylsulfonyl)benzenecarboximidamide?
4-(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 4-(2-phenylethenylsulfonyl)benzenecarboximidamide is sourced from PubChem (CID 57034256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).