cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate

C16H22FNO4S — CID 25499350

IUPACcyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC1CCCCC1
InChIInChI=1S/C16H22FNO4S/c1-12(16(19)22-11-13-7-3-2-4-8-13)18-23(20,21)15-10-6-5-9-14(15)17/h5-6,9-10,12-13,18H,2-4,7-8,11H2,1H3/t12-/m1/s1
InChIKeySXVXJGNTTRDUSY-GFCCVEGCSA-N
MW343.42 g/mol
LogP2.62
Rot. Bonds6

About cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate

cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate (PubChem CID 25499350) has the molecular formula C16H22FNO4S and a molecular weight of 343.42 g/mol. Its IUPAC name is cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namecyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate
PubChem CID25499350
Molecular FormulaC16H22FNO4S
Molecular Weight343.42 g/mol
Exact Mass343.13
IUPAC Namecyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC1CCCCC1
InChIInChI=1S/C16H22FNO4S/c1-12(16(19)22-11-13-7-3-2-4-8-13)18-23(20,21)15-10-6-5-9-14(15)17/h5-6,9-10,12-13,18H,2-4,7-8,11H2,1H3/t12-/m1/s1
InChIKeySXVXJGNTTRDUSY-GFCCVEGCSA-N
XLogP2.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849453
cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849356
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849451
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 119589001
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 2551031
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387269
N-[(2S)-1-[(2S,3aR,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 96503231
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
2-fluoro-N-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
CID 119539702
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849406

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate (CID 25499350) is cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate is C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is SXVXJGNTTRDUSY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22FNO4S/c1-12(16(19)22-11-13-7-3-2-4-8-13)18-23(20,21)15-10-6-5-9-14(15)17/h5-6,9-10,12-13,18H,2-4,7-8,11H2,1H3/t12-/m1/s1.
What are the key properties of cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 343.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 25499350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).