4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

C20H18F2N2O2S — CID 19844946

IUPAC4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)cc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H18F2N2O2S/c1-15-9-17(11-19(22)10-15)14-24(13-16-3-2-8-23-12-16)27(25,26)20-6-4-18(21)5-7-20/h2-12H,13-14H2,1H3
InChIKeyGTVNVYQVCJIGFV-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.06
Rot. Bonds6

About 4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 19844946) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID19844946
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)cc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H18F2N2O2S/c1-15-9-17(11-19(22)10-15)14-24(13-16-3-2-8-23-12-16)27(25,26)20-6-4-18(21)5-7-20/h2-12H,13-14H2,1H3
InChIKeyGTVNVYQVCJIGFV-UHFFFAOYSA-N
XLogP4.06
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 42438893
4-fluoro-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1165698
tert-butyl N-cyclohexyl-N-[[4-[4-[[[4-(4-fluorophenyl)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]phenyl]methyl]carbamate
CID 139943697
lithium N,N-bis(pyridin-3-ylmethyl)sulfamate
CID 153347507
N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055362
2-[(3,4-dimethylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetic acid
CID 146128171
4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide
CID 42819982
2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 20936453
3-[(5-fluoro-3-pyridinyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 167944542
N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360869
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1146854
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 19844946) is 4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1cc(F)cc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is GTVNVYQVCJIGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-15-9-17(11-19(22)10-15)14-24(13-16-3-2-8-23-12-16)27(25,26)20-6-4-18(21)5-7-20/h2-12H,13-14H2,1H3.
What are the key properties of 4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 388.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 19844946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).