N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide

C12H17F2NO2S — CID 71997117

IUPACN-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO2S/c1-3-6-18(16,17)15-8-9(2)10-4-5-11(13)12(14)7-10/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyZYIPOZYSBZEBPT-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide

N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide (PubChem CID 71997117) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide
PubChem CID71997117
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC NameN-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO2S/c1-3-6-18(16,17)15-8-9(2)10-4-5-11(13)12(14)7-10/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyZYIPOZYSBZEBPT-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide (CID 71997117) is N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide?
The InChIKey is ZYIPOZYSBZEBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-3-6-18(16,17)15-8-9(2)10-4-5-11(13)12(14)7-10/h4-5,7,9,15H,3,6,8H2,1-2H3.
What are the key properties of N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide?
N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide has a molecular weight of 277.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 71997117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).