(2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide

C16H22FNO3S — CID 124509791

IUPAC(2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide
SMILESC[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H22FNO3S/c1-12(16(19)18-11-13-6-3-2-4-7-13)22(20,21)15-9-5-8-14(17)10-15/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyUQOJYDGNHBNJES-LBPRGKRZSA-N
MW327.42 g/mol
LogP2.68
Rot. Bonds5

About (2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide

(2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide (PubChem CID 124509791) has the molecular formula C16H22FNO3S and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide
PubChem CID124509791
Molecular FormulaC16H22FNO3S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name(2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide
SMILESC[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H22FNO3S/c1-12(16(19)18-11-13-6-3-2-4-7-13)22(20,21)15-9-5-8-14(17)10-15/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyUQOJYDGNHBNJES-LBPRGKRZSA-N
XLogP2.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide (CID 124509791) is (2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide is C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide?
The InChIKey is UQOJYDGNHBNJES-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22FNO3S/c1-12(16(19)18-11-13-6-3-2-4-7-13)22(20,21)15-9-5-8-14(17)10-15/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide?
(2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide has a molecular weight of 327.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 124509791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).