2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid

C16H21FN2O5S — CID 119178388

IUPAC2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O5S/c17-13-1-3-14(4-2-13)25(23,24)18-8-5-15(20)19-9-6-12(7-10-19)11-16(21)22/h1-4,12,18H,5-11H2,(H,21,22)
InChIKeyYCTBUQMSPCLRJV-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.21
Rot. Bonds7

About 2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid

2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid (PubChem CID 119178388) has the molecular formula C16H21FN2O5S and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid
PubChem CID119178388
Molecular FormulaC16H21FN2O5S
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O5S/c17-13-1-3-14(4-2-13)25(23,24)18-8-5-15(20)19-9-6-12(7-10-19)11-16(21)22/h1-4,12,18H,5-11H2,(H,21,22)
InChIKeyYCTBUQMSPCLRJV-UHFFFAOYSA-N
XLogP1.21
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119647023
N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide
CID 55849652
4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 99789398
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
4-fluoro-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119576233
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
2,6-difluoro-N-[3-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 90589644
N-[3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-propan-2-ylbenzenesulfonamide
CID 24537452
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119485949
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluorobenzenesulfonamide
CID 17192158
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid
CID 119178715

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid (CID 119178388) is 2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid?
The InChIKey is YCTBUQMSPCLRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O5S/c17-13-1-3-14(4-2-13)25(23,24)18-8-5-15(20)19-9-6-12(7-10-19)11-16(21)22/h1-4,12,18H,5-11H2,(H,21,22).
What are the key properties of 2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid?
2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid has a molecular weight of 372.42 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).