2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide

C17H17F2NO4S — CID 147146770

IUPAC2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCCCOc1cc(F)cc(C(=O)CNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H17F2NO4S/c1-2-7-24-14-9-12(8-13(18)10-14)16(21)11-20-25(22,23)17-6-4-3-5-15(17)19/h3-6,8-10,20H,2,7,11H2,1H3
InChIKeyBTEYCTHDQPBTIM-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.91
Rot. Bonds8

About 2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide

2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 147146770) has the molecular formula C17H17F2NO4S and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID147146770
Molecular FormulaC17H17F2NO4S
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC Name2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCCCOc1cc(F)cc(C(=O)CNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H17F2NO4S/c1-2-7-24-14-9-12(8-13(18)10-14)16(21)11-20-25(22,23)17-6-4-3-5-15(17)19/h3-6,8-10,20H,2,7,11H2,1H3
InChIKeyBTEYCTHDQPBTIM-UHFFFAOYSA-N
XLogP2.91
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide (CID 147146770) is 2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide is CCCOc1cc(F)cc(C(=O)CNS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is BTEYCTHDQPBTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4S/c1-2-7-24-14-9-12(8-13(18)10-14)16(21)11-20-25(22,23)17-6-4-3-5-15(17)19/h3-6,8-10,20H,2,7,11H2,1H3.
What are the key properties of 2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide?
2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 369.39 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 147146770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).