2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid

C17H19FN2O4S2 — CID 136550194

IUPAC2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H19FN2O4S2/c18-13-5-3-12(4-6-13)16(17(21)22)20-9-7-14(8-10-20)19-26(23,24)15-2-1-11-25-15/h1-6,11,14,16,19H,7-10H2,(H,21,22)
InChIKeyTZSDUCBJUQBWLE-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.46
Rot. Bonds6

About 2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid

2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid (PubChem CID 136550194) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid
PubChem CID136550194
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC Name2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H19FN2O4S2/c18-13-5-3-12(4-6-13)16(17(21)22)20-9-7-14(8-10-20)19-26(23,24)15-2-1-11-25-15/h1-6,11,14,16,19H,7-10H2,(H,21,22)
InChIKeyTZSDUCBJUQBWLE-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-(4-fluorophenyl)-2-[4-(propylsulfonylamino)piperidin-1-yl]acetic acid
CID 136550246
(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-phenylacetamide
CID 37222509
N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide
CID 42929202
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55484909
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
CID 46558306
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-[1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 52533981
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122047696
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid (CID 136550194) is 2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid is O=C(O)C(c1ccc(F)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid?
The InChIKey is TZSDUCBJUQBWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c18-13-5-3-12(4-6-13)16(17(21)22)20-9-7-14(8-10-20)19-26(23,24)15-2-1-11-25-15/h1-6,11,14,16,19H,7-10H2,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid?
2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic 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-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 136550194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).