1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide

C14H15F2NO3S — CID 121127157

IUPAC1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide
SMILESCC(Cc1ccoc1)NS(=O)(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2NO3S/c1-10(4-11-2-3-20-8-11)17-21(18,19)9-12-5-13(15)7-14(16)6-12/h2-3,5-8,10,17H,4,9H2,1H3
InChIKeyIPTSFPPXHNDWQV-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.61
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide

1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide (PubChem CID 121127157) has the molecular formula C14H15F2NO3S and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide
PubChem CID121127157
Molecular FormulaC14H15F2NO3S
Molecular Weight315.34 g/mol
Exact Mass315.07
IUPAC Name1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide
SMILESCC(Cc1ccoc1)NS(=O)(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2NO3S/c1-10(4-11-2-3-20-8-11)17-21(18,19)9-12-5-13(15)7-14(16)6-12/h2-3,5-8,10,17H,4,9H2,1H3
InChIKeyIPTSFPPXHNDWQV-UHFFFAOYSA-N
XLogP2.61
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide (CID 121127157) is 1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide is CC(Cc1ccoc1)NS(=O)(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide?
The InChIKey is IPTSFPPXHNDWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3S/c1-10(4-11-2-3-20-8-11)17-21(18,19)9-12-5-13(15)7-14(16)6-12/h2-3,5-8,10,17H,4,9H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide has a molecular weight of 315.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 121127157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).