2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide

C18H20FNO3S — CID 110790773

IUPAC2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(CCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3S/c1-13(2)24(22,23)15-9-7-14(8-10-15)11-12-20-18(21)16-5-3-4-6-17(16)19/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyPNSBEIZISDVZJB-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.98
Rot. Bonds6

About 2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide

2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide (PubChem CID 110790773) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
PubChem CID110790773
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(CCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3S/c1-13(2)24(22,23)15-9-7-14(8-10-15)11-12-20-18(21)16-5-3-4-6-17(16)19/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyPNSBEIZISDVZJB-UHFFFAOYSA-N
XLogP2.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide (CID 110790773) is 2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide is CC(C)S(=O)(=O)c1ccc(CCNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide?
The InChIKey is PNSBEIZISDVZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-13(2)24(22,23)15-9-7-14(8-10-15)11-12-20-18(21)16-5-3-4-6-17(16)19/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide?
2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 110790773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).