5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

C16H17F2N3O4S — CID 126777213

IUPAC5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cc(F)ccc3F)CC2)o1
InChIInChI=1S/C16H17F2N3O4S/c17-12-1-2-13(18)11(9-12)10-20-5-7-21(8-6-20)26(23,24)15-4-3-14(25-15)16(19)22/h1-4,9H,5-8,10H2,(H2,19,22)
InChIKeyFZCVHPLIMSSTNN-UHFFFAOYSA-N
MW385.39 g/mol
LogP1.16
Rot. Bonds5

About 5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (PubChem CID 126777213) has the molecular formula C16H17F2N3O4S and a molecular weight of 385.39 g/mol. Its IUPAC name is 5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
PubChem CID126777213
Molecular FormulaC16H17F2N3O4S
Molecular Weight385.39 g/mol
Exact Mass385.09
IUPAC Name5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cc(F)ccc3F)CC2)o1
InChIInChI=1S/C16H17F2N3O4S/c17-12-1-2-13(18)11(9-12)10-20-5-7-21(8-6-20)26(23,24)15-4-3-14(25-15)16(19)22/h1-4,9H,5-8,10H2,(H2,19,22)
InChIKeyFZCVHPLIMSSTNN-UHFFFAOYSA-N
XLogP1.16
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 60508490
5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 78897205
5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 120981052
5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691954
ethyl 3-[[4-(5-carbamoylfuran-2-yl)sulfonylpiperazin-1-yl]methyl]-1-benzofuran-2-carboxylate
CID 55852148
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119733816
5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 60503012
1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 17461113
1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 3698955
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23736422

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The IUPAC name of 5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (CID 126777213) is 5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cc(F)ccc3F)CC2)o1.
What is the InChIKey of 5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The InChIKey is FZCVHPLIMSSTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O4S/c17-12-1-2-13(18)11(9-12)10-20-5-7-21(8-6-20)26(23,24)15-4-3-14(25-15)16(19)22/h1-4,9H,5-8,10H2,(H2,19,22).
What are the key properties of 5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is sourced from PubChem (CID 126777213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).