N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide

C20H15F3N2O4S — CID 2444155

IUPACN-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C20H15F3N2O4S/c1-29-16-5-3-2-4-15(16)24-20(26)12-6-8-13(9-7-12)25-30(27,28)17-11-10-14(21)18(22)19(17)23/h2-11,25H,1H3,(H,24,26)
InChIKeyCHIPNWIJCYYORD-UHFFFAOYSA-N
MW436.41 g/mol
LogP4.17
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide

N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide (PubChem CID 2444155) has the molecular formula C20H15F3N2O4S and a molecular weight of 436.41 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
PubChem CID2444155
Molecular FormulaC20H15F3N2O4S
Molecular Weight436.41 g/mol
Exact Mass436.07
IUPAC NameN-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C20H15F3N2O4S/c1-29-16-5-3-2-4-15(16)24-20(26)12-6-8-13(9-7-12)25-30(27,28)17-11-10-14(21)18(22)19(17)23/h2-11,25H,1H3,(H,24,26)
InChIKeyCHIPNWIJCYYORD-UHFFFAOYSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(3-(4-fluorophenylsulfonamido)-4-methoxyphenyl)-[1,1'-biphenyl]-4-carboxamide
CID 5020799
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
N-(2-fluoro-4-sulfamoylphenyl)-2-(4-methoxyphenyl)acetamide
CID 71764402
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
N-(2-methoxyphenyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 4877902
T5247935
CID 5216904
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42601204
N-(2-ethoxyphenyl)-4-methyl-3-{[(4-methylphenyl)amino]sulfonyl}benzamide
CID 1266608

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide (CID 2444155) is N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide is COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide?
The InChIKey is CHIPNWIJCYYORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4S/c1-29-16-5-3-2-4-15(16)24-20(26)12-6-8-13(9-7-12)25-30(27,28)17-11-10-14(21)18(22)19(17)23/h2-11,25H,1H3,(H,24,26).
What are the key properties of N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide?
N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide has a molecular weight of 436.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2444155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).