4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide

C15H16FNO3S — CID 43342485

IUPAC4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1OCc1cccc(F)c1
InChIInChI=1S/C15H16FNO3S/c1-10-6-14(21(17,18)19)7-11(2)15(10)20-9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyQSQCMEWMHUKHNL-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.67
Rot. Bonds4

About 4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide

4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide (PubChem CID 43342485) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide
PubChem CID43342485
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1OCc1cccc(F)c1
InChIInChI=1S/C15H16FNO3S/c1-10-6-14(21(17,18)19)7-11(2)15(10)20-9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyQSQCMEWMHUKHNL-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

3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 81264877
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382
5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 63216968
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 81264847
5-bromo-1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]-3-methylbenzene
CID 112621396
5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 115961948
2,5-dichloro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342560
4-[(3-fluorophenyl)methoxy]-3-methylaniline
CID 22137933
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608310
2-[(3-fluorophenyl)methoxy]-3-methylpyrazine
CID 126954248
2-(2,6-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82911999

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide (CID 43342485) is 4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(C)c1OCc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide?
The InChIKey is QSQCMEWMHUKHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-6-14(21(17,18)19)7-11(2)15(10)20-9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide?
4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide 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 4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43342485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).