2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide

C10H11ClFNO2S — CID 70666029

IUPAC2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide
SMILESCC(C)(C(N)=O)S(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO2S/c1-10(2,9(13)14)16(15)8-4-3-6(11)5-7(8)12/h3-5H,1-2H3,(H2,13,14)
InChIKeyAHVDEJFYFVRVQL-UHFFFAOYSA-N
MW263.72 g/mol
LogP1.85
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide

2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide (PubChem CID 70666029) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide
PubChem CID70666029
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC Name2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide
SMILESCC(C)(C(N)=O)S(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO2S/c1-10(2,9(13)14)16(15)8-4-3-6(11)5-7(8)12/h3-5H,1-2H3,(H2,13,14)
InChIKeyAHVDEJFYFVRVQL-UHFFFAOYSA-N
XLogP1.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide (CID 70666029) is 2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide is CC(C)(C(N)=O)S(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide?
The InChIKey is AHVDEJFYFVRVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c1-10(2,9(13)14)16(15)8-4-3-6(11)5-7(8)12/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide?
2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide has a molecular weight of 263.72 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide is sourced from PubChem (CID 70666029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).