2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid

C8H14FNO4S — CID 175646570

IUPAC2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)C1CCCC(F)C1
InChIInChI=1S/C8H14FNO4S/c9-6-2-1-3-7(4-6)15(13,14)10-5-8(11)12/h6-7,10H,1-5H2,(H,11,12)
InChIKeyPNFQSNKJHZRFNA-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.27
Rot. Bonds4

About 2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid

2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid (PubChem CID 175646570) has the molecular formula C8H14FNO4S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid
PubChem CID175646570
Molecular FormulaC8H14FNO4S
Molecular Weight239.27 g/mol
Exact Mass239.06
IUPAC Name2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)C1CCCC(F)C1
InChIInChI=1S/C8H14FNO4S/c9-6-2-1-3-7(4-6)15(13,14)10-5-8(11)12/h6-7,10H,1-5H2,(H,11,12)
InChIKeyPNFQSNKJHZRFNA-UHFFFAOYSA-N
XLogP0.27
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptylsulfonylamino)acetic acid
CID 22441691
N-(2-oxopropyl)cyclohexanesulfonamide
CID 64994168
2-(cyclohexylsulfonylamino)acetamide
CID 64591564
1-ethylsulfonyl-3-fluorocyclohexane
CID 66796442
N-phenacylcyclohexanesulfonamide
CID 64993938
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid
CID 22441688
3-[(3-fluorocyclohexanecarbonyl)-methylamino]propanoic acid
CID 122126118
3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid
CID 115427537
3-(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-6-ylsulfonylamino)propanoic acid
CID 173168972
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
3-(cyclohexylsulfonylamino)propanethioamide
CID 62667102
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide
CID 113242615

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid (CID 175646570) is 2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)C1CCCC(F)C1.
What is the InChIKey of 2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid?
The InChIKey is PNFQSNKJHZRFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4S/c9-6-2-1-3-7(4-6)15(13,14)10-5-8(11)12/h6-7,10H,1-5H2,(H,11,12).
What are the key properties of 2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid?
2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid is sourced from PubChem (CID 175646570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).