N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide

C17H20F2N2O3S — CID 120724446

IUPACN-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(C)o1
InChIInChI=1S/C17H20F2N2O3S/c1-10-7-17(11(2)24-10)25(22,23)21-16-9-20-6-5-13(16)12-3-4-14(18)15(19)8-12/h3-4,7-8,13,16,20-21H,5-6,9H2,1-2H3
InChIKeyXNTBPWJKBZGYLW-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.60
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide

N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide (PubChem CID 120724446) has the molecular formula C17H20F2N2O3S and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide
PubChem CID120724446
Molecular FormulaC17H20F2N2O3S
Molecular Weight370.42 g/mol
Exact Mass370.12
IUPAC NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(C)o1
InChIInChI=1S/C17H20F2N2O3S/c1-10-7-17(11(2)24-10)25(22,23)21-16-9-20-6-5-13(16)12-3-4-14(18)15(19)8-12/h3-4,7-8,13,16,20-21H,5-6,9H2,1-2H3
InChIKeyXNTBPWJKBZGYLW-UHFFFAOYSA-N
XLogP2.60
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide (CID 120724446) is N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide is Cc1cc(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(C)o1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is XNTBPWJKBZGYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3S/c1-10-7-17(11(2)24-10)25(22,23)21-16-9-20-6-5-13(16)12-3-4-14(18)15(19)8-12/h3-4,7-8,13,16,20-21H,5-6,9H2,1-2H3.
What are the key properties of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide?
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 370.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 120724446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).