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

C12H15F2NO4S — CID 118095409

IUPACN-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C2OCCO2)c1F
InChIInChI=1S/C12H15F2NO4S/c1-2-7-20(16,17)15-9-4-3-8(13)10(11(9)14)12-18-5-6-19-12/h3-4,12,15H,2,5-7H2,1H3
InChIKeyCLQCLMNEIIZFFZ-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.16
Rot. Bonds5

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

N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 118095409) has the molecular formula C12H15F2NO4S and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID118095409
Molecular FormulaC12H15F2NO4S
Molecular Weight307.32 g/mol
Exact Mass307.07
IUPAC NameN-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C2OCCO2)c1F
InChIInChI=1S/C12H15F2NO4S/c1-2-7-20(16,17)15-9-4-3-8(13)10(11(9)14)12-18-5-6-19-12/h3-4,12,15H,2,5-7H2,1H3
InChIKeyCLQCLMNEIIZFFZ-UHFFFAOYSA-N
XLogP2.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide (CID 118095409) is N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C2OCCO2)c1F.
What is the InChIKey of N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is CLQCLMNEIIZFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4S/c1-2-7-20(16,17)15-9-4-3-8(13)10(11(9)14)12-18-5-6-19-12/h3-4,12,15H,2,5-7H2,1H3.
What are the key properties of N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide?
N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 307.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxolan-2-yl)-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 118095409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).