2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid

C17H19FN2O4S2 — CID 136550427

IUPAC2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(c1ccsc1)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C17H19FN2O4S2/c18-13-3-1-5-15(9-13)26(23,24)19-14-4-2-7-20(10-14)16(17(21)22)12-6-8-25-11-12/h1,3,5-6,8-9,11,14,16,19H,2,4,7,10H2,(H,21,22)
InChIKeyIPZBRFJEFVOEGJ-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.46
Rot. Bonds6

About 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid

2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid (PubChem CID 136550427) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid
PubChem CID136550427
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC Name2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(c1ccsc1)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C17H19FN2O4S2/c18-13-3-1-5-15(9-13)26(23,24)19-14-4-2-7-20(10-14)16(17(21)22)12-6-8-25-11-12/h1,3,5-6,8-9,11,14,16,19H,2,4,7,10H2,(H,21,22)
InChIKeyIPZBRFJEFVOEGJ-UHFFFAOYSA-N
XLogP2.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid
CID 119921741
N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 95304010
3-fluoro-N-[1-(2-methyl-3-phenylsulfanylpropanoyl)piperidin-3-yl]benzenesulfonamide
CID 86935365
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide
CID 166824772
3-fluoro-N-(1-hexa-2,4-dienoylpiperidin-3-yl)benzenesulfonamide
CID 72687865
3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide
CID 120931129
N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119774617
N-[1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 72687849
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid?
The IUPAC name of 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid (CID 136550427) is 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid is O=C(O)C(c1ccsc1)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid?
The InChIKey is IPZBRFJEFVOEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c18-13-3-1-5-15(9-13)26(23,24)19-14-4-2-7-20(10-14)16(17(21)22)12-6-8-25-11-12/h1,3,5-6,8-9,11,14,16,19H,2,4,7,10H2,(H,21,22).
What are the key properties of 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid?
2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid has a molecular weight of 398.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 136550427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).