2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide

C19H23F3N2O4S3 — CID 170150235

IUPAC2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1c(F)ccc(SC(C)CNS(=O)(=O)c2ccccc2F)c1F
InChIInChI=1S/C19H23F3N2O4S3/c1-12(2)10-23-31(27,28)19-15(21)8-9-16(18(19)22)29-13(3)11-24-30(25,26)17-7-5-4-6-14(17)20/h4-9,12-13,23-24H,10-11H2,1-3H3
InChIKeyKYLJANYWZLWCOS-UHFFFAOYSA-N
MW496.60 g/mol
LogP3.50
Rot. Bonds10

About 2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide

2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 170150235) has the molecular formula C19H23F3N2O4S3 and a molecular weight of 496.60 g/mol. Its IUPAC name is 2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID170150235
Molecular FormulaC19H23F3N2O4S3
Molecular Weight496.60 g/mol
Exact Mass496.08
IUPAC Name2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1c(F)ccc(SC(C)CNS(=O)(=O)c2ccccc2F)c1F
InChIInChI=1S/C19H23F3N2O4S3/c1-12(2)10-23-31(27,28)19-15(21)8-9-16(18(19)22)29-13(3)11-24-30(25,26)17-7-5-4-6-14(17)20/h4-9,12-13,23-24H,10-11H2,1-3H3
InChIKeyKYLJANYWZLWCOS-UHFFFAOYSA-N
XLogP3.50
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide (CID 170150235) is 2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1c(F)ccc(SC(C)CNS(=O)(=O)c2ccccc2F)c1F.
What is the InChIKey of 2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is KYLJANYWZLWCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O4S3/c1-12(2)10-23-31(27,28)19-15(21)8-9-16(18(19)22)29-13(3)11-24-30(25,26)17-7-5-4-6-14(17)20/h4-9,12-13,23-24H,10-11H2,1-3H3.
What are the key properties of 2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide?
2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 496.60 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[1-[(2-fluorophenyl)sulfonylamino]propan-2-ylsulfanyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 170150235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).