N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide

C20H16F4N2O3S — CID 141169123

IUPACN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1cncc(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H16F4N2O3S/c1-29-16-10-15(11-25-12-16)26(30(27,28)17-5-3-2-4-6-17)13-14-7-8-19(21)18(9-14)20(22,23)24/h2-12H,13H2,1H3
InChIKeyVIKVUKUSABGSGM-UHFFFAOYSA-N
MW440.42 g/mol
LogP4.64
Rot. Bonds6

About N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 141169123) has the molecular formula C20H16F4N2O3S and a molecular weight of 440.42 g/mol. Its IUPAC name is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID141169123
Molecular FormulaC20H16F4N2O3S
Molecular Weight440.42 g/mol
Exact Mass440.08
IUPAC NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1cncc(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H16F4N2O3S/c1-29-16-10-15(11-25-12-16)26(30(27,28)17-5-3-2-4-6-17)13-14-7-8-19(21)18(9-14)20(22,23)24/h2-12H,13H2,1H3
InChIKeyVIKVUKUSABGSGM-UHFFFAOYSA-N
XLogP4.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-(3-acetyl-1,1-dioxo-1-benzothiophen-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 66907097
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
N-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021895
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 10277639
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-(3-methyl-1-benzothiophen-2-yl)sulfamoyl](11C)benzoic acid
CID 44621071
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide (CID 141169123) is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide is COc1cncc(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is VIKVUKUSABGSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O3S/c1-29-16-10-15(11-25-12-16)26(30(27,28)17-5-3-2-4-6-17)13-14-7-8-19(21)18(9-14)20(22,23)24/h2-12H,13H2,1H3.
What are the key properties of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide?
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 440.42 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 141169123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).