2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide

C10H13F2NO3S2 — CID 71973903

IUPAC2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCS(C)=O)c(F)cc1F
InChIInChI=1S/C10H13F2NO3S2/c1-7-5-10(9(12)6-8(7)11)18(15,16)13-3-4-17(2)14/h5-6,13H,3-4H2,1-2H3
InChIKeyPHPSICQMOSRANO-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.93
Rot. Bonds5

About 2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide

2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide (PubChem CID 71973903) has the molecular formula C10H13F2NO3S2 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
PubChem CID71973903
Molecular FormulaC10H13F2NO3S2
Molecular Weight297.35 g/mol
Exact Mass297.03
IUPAC Name2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCS(C)=O)c(F)cc1F
InChIInChI=1S/C10H13F2NO3S2/c1-7-5-10(9(12)6-8(7)11)18(15,16)13-3-4-17(2)14/h5-6,13H,3-4H2,1-2H3
InChIKeyPHPSICQMOSRANO-UHFFFAOYSA-N
XLogP0.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide (CID 71973903) is 2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCS(C)=O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
The InChIKey is PHPSICQMOSRANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S2/c1-7-5-10(9(12)6-8(7)11)18(15,16)13-3-4-17(2)14/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide?
2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide has a molecular weight of 297.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide is sourced from PubChem (CID 71973903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).