(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide

C15H20FNO3S — CID 94151255

IUPAC(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H20FNO3S/c1-11(15(18)17-12-7-3-2-4-8-12)21(19,20)14-10-6-5-9-13(14)16/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyVMMLFXPVBIOVKK-NSHDSACASA-N
MW313.39 g/mol
LogP2.44
Rot. Bonds4

About (2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide

(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide (PubChem CID 94151255) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
PubChem CID94151255
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H20FNO3S/c1-11(15(18)17-12-7-3-2-4-8-12)21(19,20)14-10-6-5-9-13(14)16/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyVMMLFXPVBIOVKK-NSHDSACASA-N
XLogP2.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81183174
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide;hydrochloride
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(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide (CID 94151255) is (2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide is C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide?
The InChIKey is VMMLFXPVBIOVKK-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-11(15(18)17-12-7-3-2-4-8-12)21(19,20)14-10-6-5-9-13(14)16/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide?
(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide has a molecular weight of 313.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 94151255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).