2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide

C13H13F2NO3S — CID 121127112

IUPAC2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccoc1)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NO3S/c1-9(6-10-4-5-19-8-10)16-20(17,18)13-3-2-11(14)7-12(13)15/h2-5,7-9,16H,6H2,1H3
InChIKeyMZWNQNQVHRCXSW-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.47
Rot. Bonds5

About 2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide

2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 121127112) has the molecular formula C13H13F2NO3S and a molecular weight of 301.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide
PubChem CID121127112
Molecular FormulaC13H13F2NO3S
Molecular Weight301.31 g/mol
Exact Mass301.06
IUPAC Name2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccoc1)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NO3S/c1-9(6-10-4-5-19-8-10)16-20(17,18)13-3-2-11(14)7-12(13)15/h2-5,7-9,16H,6H2,1H3
InChIKeyMZWNQNQVHRCXSW-UHFFFAOYSA-N
XLogP2.47
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide
CID 121127157
1-(3-fluorophenyl)-N-[(2R)-1-(furan-3-yl)propan-2-yl]methanesulfonamide
CID 99873201
2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide
CID 99873228
3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 97030655
N-(1-bromo-3-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
CID 114294704
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 116528376
N-[1-(furan-3-yl)propan-2-yl]-1-(3-methylphenyl)methanesulfonamide
CID 121127099
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
(2S)-2-[(2,4-difluorophenyl)sulfonylamino]pentanedioic acid
CID 61144131

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide (CID 121127112) is 2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide is CC(Cc1ccoc1)NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is MZWNQNQVHRCXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3S/c1-9(6-10-4-5-19-8-10)16-20(17,18)13-3-2-11(14)7-12(13)15/h2-5,7-9,16H,6H2,1H3.
What are the key properties of 2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide?
2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 301.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 121127112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).