N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide

C18H20FNO4S — CID 169372450

IUPACN-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(F)cccc2OCC2CCCO2)cc1
InChIInChI=1S/C18H20FNO4S/c1-13-7-9-15(10-8-13)25(21,22)20-18-16(19)5-2-6-17(18)24-12-14-4-3-11-23-14/h2,5-10,14,20H,3-4,11-12H2,1H3
InChIKeyZZPJNJPMFSAWFS-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.49
Rot. Bonds6

About N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide

N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169372450) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID169372450
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC NameN-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(F)cccc2OCC2CCCO2)cc1
InChIInChI=1S/C18H20FNO4S/c1-13-7-9-15(10-8-13)25(21,22)20-18-16(19)5-2-6-17(18)24-12-14-4-3-11-23-14/h2,5-10,14,20H,3-4,11-12H2,1H3
InChIKeyZZPJNJPMFSAWFS-UHFFFAOYSA-N
XLogP3.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981233
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide
CID 43042819
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 43057833
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
5-methyl-2-(oxan-2-ylmethoxy)benzenesulfonyl chloride
CID 43591843
[(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate
CID 40895496
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide (CID 169372450) is N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(F)cccc2OCC2CCCO2)cc1.
What is the InChIKey of N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is ZZPJNJPMFSAWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-13-7-9-15(10-8-13)25(21,22)20-18-16(19)5-2-6-17(18)24-12-14-4-3-11-23-14/h2,5-10,14,20H,3-4,11-12H2,1H3.
What are the key properties of N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide?
N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 365.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).