6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid

C14H15ClFNO4S — CID 166237221

IUPAC6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(S(=O)(=O)c1cc(F)ccc1Cl)CC2
InChIInChI=1S/C14H15ClFNO4S/c15-11-2-1-9(16)7-12(11)22(20,21)17-5-3-14(4-6-17)8-10(14)13(18)19/h1-2,7,10H,3-6,8H2,(H,18,19)
InChIKeyNZSGIRBGDOKGMQ-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.35
Rot. Bonds3

About 6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid

6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 166237221) has the molecular formula C14H15ClFNO4S and a molecular weight of 347.80 g/mol. Its IUPAC name is 6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID166237221
Molecular FormulaC14H15ClFNO4S
Molecular Weight347.80 g/mol
Exact Mass347.04
IUPAC Name6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(S(=O)(=O)c1cc(F)ccc1Cl)CC2
InChIInChI=1S/C14H15ClFNO4S/c15-11-2-1-9(16)7-12(11)22(20,21)17-5-3-14(4-6-17)8-10(14)13(18)19/h1-2,7,10H,3-6,8H2,(H,18,19)
InChIKeyNZSGIRBGDOKGMQ-UHFFFAOYSA-N
XLogP2.35
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 104937173
2-[4-(2-chloro-5-fluorophenyl)sulfonylpiperazin-1-yl]acetic acid
CID 105399674
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol
CID 105400409
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 3262769
6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 154742968
(2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 105399718
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 103990791

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid (CID 166237221) is 6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(S(=O)(=O)c1cc(F)ccc1Cl)CC2.
What is the InChIKey of 6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is NZSGIRBGDOKGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO4S/c15-11-2-1-9(16)7-12(11)22(20,21)17-5-3-14(4-6-17)8-10(14)13(18)19/h1-2,7,10H,3-6,8H2,(H,18,19).
What are the key properties of 6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 347.80 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 166237221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).