N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide

C15H16FNO3S — CID 8514842

IUPACN-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C15H16FNO3S/c1-10-4-6-12(16)13(8-10)17-21(18,19)15-9-11(2)5-7-14(15)20-3/h4-9,17H,1-3H3
InChIKeyXSPSDFSFFSLBJH-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.25
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide

N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 8514842) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID8514842
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C15H16FNO3S/c1-10-4-6-12(16)13(8-10)17-21(18,19)15-9-11(2)5-7-14(15)20-3/h4-9,17H,1-3H3
InChIKeyXSPSDFSFFSLBJH-UHFFFAOYSA-N
XLogP3.25
TPSA55.40 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113033057
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide (CID 8514842) is N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cc(C)ccc1F.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is XSPSDFSFFSLBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-4-6-12(16)13(8-10)17-21(18,19)15-9-11(2)5-7-14(15)20-3/h4-9,17H,1-3H3.
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 8514842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).