2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide

C14H13F2NO3S — CID 114930658

IUPAC2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide
SMILESCc1ccc(OCc2c(F)cccc2F)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H13F2NO3S/c1-9-5-6-13(14(7-9)21(17,18)19)20-8-10-11(15)3-2-4-12(10)16/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyOEGYHXHIHKDBAZ-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.50
Rot. Bonds4

About 2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide

2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide (PubChem CID 114930658) has the molecular formula C14H13F2NO3S and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide
PubChem CID114930658
Molecular FormulaC14H13F2NO3S
Molecular Weight313.32 g/mol
Exact Mass313.06
IUPAC Name2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide
SMILESCc1ccc(OCc2c(F)cccc2F)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H13F2NO3S/c1-9-5-6-13(14(7-9)21(17,18)19)20-8-10-11(15)3-2-4-12(10)16/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyOEGYHXHIHKDBAZ-UHFFFAOYSA-N
XLogP2.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 115983170
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide
CID 114346410
2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 43342438
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 114930094
(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 104984970
2-hexoxy-5-methylbenzenesulfonamide
CID 43164499
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 114930150
5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 61490332
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926
5-methyl-2-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921724
4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide
CID 103981147

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide?
The IUPAC name of 2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide (CID 114930658) is 2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide is Cc1ccc(OCc2c(F)cccc2F)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide?
The InChIKey is OEGYHXHIHKDBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-9-5-6-13(14(7-9)21(17,18)19)20-8-10-11(15)3-2-4-12(10)16/h2-7H,8H2,1H3,(H2,17,18,19).
What are the key properties of 2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide?
2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide has a molecular weight of 313.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide is sourced from PubChem (CID 114930658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).