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

C14H15F2NO4S — CID 71796929

IUPAC1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1
InChIInChI=1S/C14H15F2NO4S/c1-14(18,13-3-2-6-21-13)9-17-22(19,20)8-10-7-11(15)4-5-12(10)16/h2-7,17-18H,8-9H2,1H3
InChIKeyZTVZHFGFBMKLLP-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.88
Rot. Bonds6

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

1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide (PubChem CID 71796929) has the molecular formula C14H15F2NO4S and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
PubChem CID71796929
Molecular FormulaC14H15F2NO4S
Molecular Weight331.34 g/mol
Exact Mass331.07
IUPAC Name1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1
InChIInChI=1S/C14H15F2NO4S/c1-14(18,13-3-2-6-21-13)9-17-22(19,20)8-10-7-11(15)4-5-12(10)16/h2-7,17-18H,8-9H2,1H3
InChIKeyZTVZHFGFBMKLLP-UHFFFAOYSA-N
XLogP1.88
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 121085981
1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide
CID 95986127
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 95983765
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide
CID 95982384
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 71782634
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-(methylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111671800
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 111490885
4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 121085972

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide (CID 71796929) is 1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide is CC(O)(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide?
The InChIKey is ZTVZHFGFBMKLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4S/c1-14(18,13-3-2-6-21-13)9-17-22(19,20)8-10-7-11(15)4-5-12(10)16/h2-7,17-18H,8-9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide has a molecular weight of 331.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide is sourced from PubChem (CID 71796929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).