N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide

C14H11ClFNO2S — CID 5192359

IUPACN-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
SMILESO=C(CS(=O)c1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C14H11ClFNO2S/c15-12-3-1-2-4-13(12)17-14(18)9-20(19)11-7-5-10(16)6-8-11/h1-8H,9H2,(H,17,18)
InChIKeyWNONXNGNEVQUBX-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.23
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide

N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide (PubChem CID 5192359) has the molecular formula C14H11ClFNO2S and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
PubChem CID5192359
Molecular FormulaC14H11ClFNO2S
Molecular Weight311.77 g/mol
Exact Mass311.02
IUPAC NameN-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
SMILESO=C(CS(=O)c1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C14H11ClFNO2S/c15-12-3-1-2-4-13(12)17-14(18)9-20(19)11-7-5-10(16)6-8-11/h1-8H,9H2,(H,17,18)
InChIKeyWNONXNGNEVQUBX-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide (CID 5192359) is N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide is O=C(CS(=O)c1ccc(F)cc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide?
The InChIKey is WNONXNGNEVQUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2S/c15-12-3-1-2-4-13(12)17-14(18)9-20(19)11-7-5-10(16)6-8-11/h1-8H,9H2,(H,17,18).
What are the key properties of N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide?
N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide has a molecular weight of 311.77 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide is sourced from PubChem (CID 5192359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).