2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide

C15H16FNO3S — CID 114346410

IUPAC2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide
SMILESCc1ccc(OCc2ccc(F)cc2C)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H16FNO3S/c1-10-3-6-14(15(7-10)21(17,18)19)20-9-12-4-5-13(16)8-11(12)2/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyXHEJBFDNPBXBEA-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.67
Rot. Bonds4

About 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide

2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide (PubChem CID 114346410) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide
PubChem CID114346410
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide
SMILESCc1ccc(OCc2ccc(F)cc2C)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H16FNO3S/c1-10-3-6-14(15(7-10)21(17,18)19)20-9-12-4-5-13(16)8-11(12)2/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyXHEJBFDNPBXBEA-UHFFFAOYSA-N
XLogP2.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 43342438
2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 115983170
2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 114930658
5-fluoro-2-[(2-methoxyphenyl)methoxy]benzenesulfonamide
CID 62104803
2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 103047119
[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 64765020
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
3-[(4-fluoro-2-methylphenyl)methoxy]-2-methylphenol
CID 114346383
2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 62105360
1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 60627601
2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide
CID 62105180
2-hexoxy-5-methylbenzenesulfonamide
CID 43164499

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide (CID 114346410) is 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide is Cc1ccc(OCc2ccc(F)cc2C)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide?
The InChIKey is XHEJBFDNPBXBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-3-6-14(15(7-10)21(17,18)19)20-9-12-4-5-13(16)8-11(12)2/h3-8H,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide?
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methylbenzenesulfonamide is sourced from PubChem (CID 114346410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).