4-(4-methylphenyl)sulfonylbenzenecarboximidamide

C14H14N2O2S — CID 57026386

IUPAC4-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10-2-6-12(7-3-10)19(17,18)13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H3,15,16)
InChIKeyRUCIMMPWMUABBR-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.11
Rot. Bonds3

About 4-(4-methylphenyl)sulfonylbenzenecarboximidamide

4-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 57026386) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID57026386
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10-2-6-12(7-3-10)19(17,18)13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H3,15,16)
InChIKeyRUCIMMPWMUABBR-UHFFFAOYSA-N
XLogP2.11
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.11
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-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of 4-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 57026386) is 4-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for 4-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for 4-(4-methylphenyl)sulfonylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is RUCIMMPWMUABBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10-2-6-12(7-3-10)19(17,18)13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H3,15,16).
What are the key properties of 4-(4-methylphenyl)sulfonylbenzenecarboximidamide?
4-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 274.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 57026386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).