4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide

C15H14FNO2S — CID 99773991

IUPAC4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
SMILESO=C(NCC[S@@](=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO2S/c16-13-8-6-12(7-9-13)15(18)17-10-11-20(19)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)/t20-/m1/s1
InChIKeyKKXJSJAXJNBKCG-HXUWFJFHSA-N
MW291.35 g/mol
LogP2.36
Rot. Bonds5

About 4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide

4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide (PubChem CID 99773991) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
PubChem CID99773991
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
SMILESO=C(NCC[S@@](=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO2S/c16-13-8-6-12(7-9-13)15(18)17-10-11-20(19)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)/t20-/m1/s1
InChIKeyKKXJSJAXJNBKCG-HXUWFJFHSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
CID 95618513
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4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide (CID 99773991) is 4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide is O=C(NCC[S@@](=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide?
The InChIKey is KKXJSJAXJNBKCG-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H14FNO2S/c16-13-8-6-12(7-9-13)15(18)17-10-11-20(19)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)/t20-/m1/s1.
What are the key properties of 4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide?
4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide has a molecular weight of 291.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide is sourced from PubChem (CID 99773991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).