N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide

C11H13F4NO2S — CID 60607549

IUPACN-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide
SMILESCCCN(CC(F)F)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H13F4NO2S/c1-2-5-16(7-11(14)15)19(17,18)10-6-8(12)3-4-9(10)13/h3-4,6,11H,2,5,7H2,1H3
InChIKeyPEGZLVFGCZTDAK-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.63
Rot. Bonds6

About N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide

N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide (PubChem CID 60607549) has the molecular formula C11H13F4NO2S and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide
PubChem CID60607549
Molecular FormulaC11H13F4NO2S
Molecular Weight299.29 g/mol
Exact Mass299.06
IUPAC NameN-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide
SMILESCCCN(CC(F)F)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H13F4NO2S/c1-2-5-16(7-11(14)15)19(17,18)10-6-8(12)3-4-9(10)13/h3-4,6,11H,2,5,7H2,1H3
InChIKeyPEGZLVFGCZTDAK-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide (CID 60607549) is N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide is CCCN(CC(F)F)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide?
The InChIKey is PEGZLVFGCZTDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO2S/c1-2-5-16(7-11(14)15)19(17,18)10-6-8(12)3-4-9(10)13/h3-4,6,11H,2,5,7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide?
N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide has a molecular weight of 299.29 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide is sourced from PubChem (CID 60607549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).