1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide

C22H23FN2O3S — CID 53148337

IUPAC1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide
SMILESCOc1ccc(-c2nc(C)cc(C)c2CNS(=O)(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C22H23FN2O3S/c1-15-11-16(2)25-22(18-7-9-20(28-3)10-8-18)21(15)13-24-29(26,27)14-17-5-4-6-19(23)12-17/h4-12,24H,13-14H2,1-3H3
InChIKeyDSELSWPKWFXDST-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.13
Rot. Bonds7

About 1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide

1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide (PubChem CID 53148337) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide
PubChem CID53148337
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide
SMILESCOc1ccc(-c2nc(C)cc(C)c2CNS(=O)(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C22H23FN2O3S/c1-15-11-16(2)25-22(18-7-9-20(28-3)10-8-18)21(15)13-24-29(26,27)14-17-5-4-6-19(23)12-17/h4-12,24H,13-14H2,1-3H3
InChIKeyDSELSWPKWFXDST-UHFFFAOYSA-N
XLogP4.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]acetamide
CID 53148124
2-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]acetamide
CID 53148125
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide
CID 53148143
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
CID 119964790
1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717949
N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441056
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
CID 35388728
1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide
CID 110784907
N-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide
CID 92672171

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide (CID 53148337) is 1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide is COc1ccc(-c2nc(C)cc(C)c2CNS(=O)(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide?
The InChIKey is DSELSWPKWFXDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-15-11-16(2)25-22(18-7-9-20(28-3)10-8-18)21(15)13-24-29(26,27)14-17-5-4-6-19(23)12-17/h4-12,24H,13-14H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide has a molecular weight of 414.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]methanesulfonamide is sourced from PubChem (CID 53148337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).