5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid

C17H18F2N2O5S — CID 175358511

IUPAC5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CCN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)o1
InChIInChI=1S/C17H18F2N2O5S/c18-13-2-1-3-14(19)16(13)27(24,25)21-10-8-20(9-11-21)7-6-12-4-5-15(26-12)17(22)23/h1-5H,6-11H2,(H,22,23)
InChIKeyGZCBSWAYQLGDTH-UHFFFAOYSA-N
MW400.40 g/mol
LogP1.80
Rot. Bonds6

About 5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid

5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid (PubChem CID 175358511) has the molecular formula C17H18F2N2O5S and a molecular weight of 400.40 g/mol. Its IUPAC name is 5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid
PubChem CID175358511
Molecular FormulaC17H18F2N2O5S
Molecular Weight400.40 g/mol
Exact Mass400.09
IUPAC Name5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CCN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)o1
InChIInChI=1S/C17H18F2N2O5S/c18-13-2-1-3-14(19)16(13)27(24,25)21-10-8-20(9-11-21)7-6-12-4-5-15(26-12)17(22)23/h1-5H,6-11H2,(H,22,23)
InChIKeyGZCBSWAYQLGDTH-UHFFFAOYSA-N
XLogP1.80
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 139348467
1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 3698955
3-bromo-4-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzoic acid
CID 175358534
ethyl 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]butanoate
CID 47014013
2-[4-(2,6-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 35386227
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 38079687
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 46797516
(1S)-1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 97039287
1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine
CID 55831490
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 9023338
1-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]naphthalen-2-ol
CID 2507600
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9429043

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid (CID 175358511) is 5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid is O=C(O)c1ccc(CCN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)o1.
What is the InChIKey of 5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid?
The InChIKey is GZCBSWAYQLGDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O5S/c18-13-2-1-3-14(19)16(13)27(24,25)21-10-8-20(9-11-21)7-6-12-4-5-15(26-12)17(22)23/h1-5H,6-11H2,(H,22,23).
What are the key properties of 5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid?
5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid has a molecular weight of 400.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 175358511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).