3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid

C12H15FN2O4S — CID 134541167

IUPAC3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid
SMILESNS(=O)(=O)C1CC(c2ccc(F)cc2)CN(C(=O)O)C1
InChIInChI=1S/C12H15FN2O4S/c13-10-3-1-8(2-4-10)9-5-11(20(14,18)19)7-15(6-9)12(16)17/h1-4,9,11H,5-7H2,(H,16,17)(H2,14,18,19)
InChIKeyVDWSGGGZFYRCBE-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.95
Rot. Bonds2

About 3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid

3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid (PubChem CID 134541167) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid
PubChem CID134541167
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid
SMILESNS(=O)(=O)C1CC(c2ccc(F)cc2)CN(C(=O)O)C1
InChIInChI=1S/C12H15FN2O4S/c13-10-3-1-8(2-4-10)9-5-11(20(14,18)19)7-15(6-9)12(16)17/h1-4,9,11H,5-7H2,(H,16,17)(H2,14,18,19)
InChIKeyVDWSGGGZFYRCBE-UHFFFAOYSA-N
XLogP0.95
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide
CID 159193421
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
(2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide
CID 95632290
4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide
CID 56793697
2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid
CID 119136186
(3aS,6aR)-5-(4-fluorophenyl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carboxylic acid
CID 126506453
(2S)-2-amino-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 119796817
7-[(4-fluorophenyl)methyl]-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 154370154
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 122157842
(2S)-2-amino-1-[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124688053
1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide
CID 154737138
[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 125118087

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid (CID 134541167) is 3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid is NS(=O)(=O)C1CC(c2ccc(F)cc2)CN(C(=O)O)C1.
What is the InChIKey of 3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid?
The InChIKey is VDWSGGGZFYRCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c13-10-3-1-8(2-4-10)9-5-11(20(14,18)19)7-15(6-9)12(16)17/h1-4,9,11H,5-7H2,(H,16,17)(H2,14,18,19).
What are the key properties of 3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid?
3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-sulfamoylpiperidine-1-carboxylic acid is sourced from PubChem (CID 134541167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).