2,4-difluoro-N-methylbenzenesulfinamide

C7H7F2NOS — CID 142228854

IUPAC2,4-difluoro-N-methylbenzenesulfinamide
SMILESCNS(=O)c1ccc(F)cc1F
InChIInChI=1S/C7H7F2NOS/c1-10-12(11)7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyCJQOBQLRGGFRRU-UHFFFAOYSA-N
MW191.20 g/mol
LogP1.21
Rot. Bonds2

About 2,4-difluoro-N-methylbenzenesulfinamide

2,4-difluoro-N-methylbenzenesulfinamide (PubChem CID 142228854) has the molecular formula C7H7F2NOS and a molecular weight of 191.20 g/mol. Its IUPAC name is 2,4-difluoro-N-methylbenzenesulfinamide.

Molecular Properties

Compound Name2,4-difluoro-N-methylbenzenesulfinamide
PubChem CID142228854
Molecular FormulaC7H7F2NOS
Molecular Weight191.20 g/mol
Exact Mass191.02
IUPAC Name2,4-difluoro-N-methylbenzenesulfinamide
SMILESCNS(=O)c1ccc(F)cc1F
InChIInChI=1S/C7H7F2NOS/c1-10-12(11)7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyCJQOBQLRGGFRRU-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methylbenzenesulfinamide?
The IUPAC name of 2,4-difluoro-N-methylbenzenesulfinamide (CID 142228854) is 2,4-difluoro-N-methylbenzenesulfinamide.
What is the SMILES notation for 2,4-difluoro-N-methylbenzenesulfinamide?
The canonical SMILES for 2,4-difluoro-N-methylbenzenesulfinamide is CNS(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-methylbenzenesulfinamide?
The InChIKey is CJQOBQLRGGFRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NOS/c1-10-12(11)7-3-2-5(8)4-6(7)9/h2-4,10H,1H3.
What are the key properties of 2,4-difluoro-N-methylbenzenesulfinamide?
2,4-difluoro-N-methylbenzenesulfinamide has a molecular weight of 191.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methylbenzenesulfinamide is sourced from PubChem (CID 142228854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).