2-(4-chlorophenyl)-N-phenylethenesulfinamide

C14H12ClNOS — CID 3716001

IUPAC2-(4-chlorophenyl)-N-phenylethenesulfinamide
SMILESO=S(C=Cc1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C14H12ClNOS/c15-13-8-6-12(7-9-13)10-11-18(17)16-14-4-2-1-3-5-14/h1-11,16H
InChIKeyIYBAFJRBKLPWQS-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.09
Rot. Bonds4

About 2-(4-chlorophenyl)-N-phenylethenesulfinamide

2-(4-chlorophenyl)-N-phenylethenesulfinamide (PubChem CID 3716001) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-phenylethenesulfinamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-phenylethenesulfinamide
PubChem CID3716001
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name2-(4-chlorophenyl)-N-phenylethenesulfinamide
SMILESO=S(C=Cc1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C14H12ClNOS/c15-13-8-6-12(7-9-13)10-11-18(17)16-14-4-2-1-3-5-14/h1-11,16H
InChIKeyIYBAFJRBKLPWQS-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-phenylethenesulfinamide?
The IUPAC name of 2-(4-chlorophenyl)-N-phenylethenesulfinamide (CID 3716001) is 2-(4-chlorophenyl)-N-phenylethenesulfinamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-phenylethenesulfinamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-phenylethenesulfinamide is O=S(C=Cc1ccc(Cl)cc1)Nc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-phenylethenesulfinamide?
The InChIKey is IYBAFJRBKLPWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-13-8-6-12(7-9-13)10-11-18(17)16-14-4-2-1-3-5-14/h1-11,16H.
What are the key properties of 2-(4-chlorophenyl)-N-phenylethenesulfinamide?
2-(4-chlorophenyl)-N-phenylethenesulfinamide has a molecular weight of 277.78 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-phenylethenesulfinamide is sourced from PubChem (CID 3716001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).