3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide

C22H20F3N3O5S — CID 23122447

IUPAC3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H20F3N3O5S/c1-13-4-7-16(8-5-13)34(30,31)28-20-17(11-15(12-26-20)22(23,24)25)27-21(29)14-6-9-18(32-2)19(10-14)33-3/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChIKeyWYRQVAYPKXPAMO-UHFFFAOYSA-N
MW495.48 g/mol
LogP4.48
Rot. Bonds7

About 3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide

3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 23122447) has the molecular formula C22H20F3N3O5S and a molecular weight of 495.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID23122447
Molecular FormulaC22H20F3N3O5S
Molecular Weight495.48 g/mol
Exact Mass495.11
IUPAC Name3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H20F3N3O5S/c1-13-4-7-16(8-5-13)34(30,31)28-20-17(11-15(12-26-20)22(23,24)25)27-21(29)14-6-9-18(32-2)19(10-14)33-3/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChIKeyWYRQVAYPKXPAMO-UHFFFAOYSA-N
XLogP4.48
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 23122623
N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]-3-methylbenzamide
CID 3072238
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
CID 6459882
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 2337124
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide
CID 5039717
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
4-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 26709820
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3673707

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 23122447) is 3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is WYRQVAYPKXPAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O5S/c1-13-4-7-16(8-5-13)34(30,31)28-20-17(11-15(12-26-20)22(23,24)25)27-21(29)14-6-9-18(32-2)19(10-14)33-3/h4-12H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide?
3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 495.48 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 23122447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).