5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide

C22H23FN2O4S — CID 178149371

IUPAC5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ncc(F)cc2C)cc1
InChIInChI=1S/C22H23FN2O4S/c1-16-12-19(23)13-24-22(16)30(26,27)25(14-17-4-8-20(28-2)9-5-17)15-18-6-10-21(29-3)11-7-18/h4-13H,14-15H2,1-3H3
InChIKeyQTTKSMGFIKDBBC-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.94
Rot. Bonds8

About 5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide

5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide (PubChem CID 178149371) has the molecular formula C22H23FN2O4S and a molecular weight of 430.50 g/mol. Its IUPAC name is 5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide
PubChem CID178149371
Molecular FormulaC22H23FN2O4S
Molecular Weight430.50 g/mol
Exact Mass430.14
IUPAC Name5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ncc(F)cc2C)cc1
InChIInChI=1S/C22H23FN2O4S/c1-16-12-19(23)13-24-22(16)30(26,27)25(14-17-4-8-20(28-2)9-5-17)15-18-6-10-21(29-3)11-7-18/h4-13H,14-15H2,1-3H3
InChIKeyQTTKSMGFIKDBBC-UHFFFAOYSA-N
XLogP3.94
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 134542446
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 141361157
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
(1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 122702089
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 142529385
N-[(2,4-dimethoxypyrimidin-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162667090
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 1168913
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 42438893
N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022824
N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide
CID 155068946

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide?
The IUPAC name of 5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide (CID 178149371) is 5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide.
What is the SMILES notation for 5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide?
The canonical SMILES for 5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ncc(F)cc2C)cc1.
What is the InChIKey of 5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide?
The InChIKey is QTTKSMGFIKDBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4S/c1-16-12-19(23)13-24-22(16)30(26,27)25(14-17-4-8-20(28-2)9-5-17)15-18-6-10-21(29-3)11-7-18/h4-13H,14-15H2,1-3H3.
What are the key properties of 5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide?
5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide has a molecular weight of 430.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide is sourced from PubChem (CID 178149371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).