N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide

C23H16F3N3O4S — CID 58874653

IUPACN-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2ccc3cc(OC(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C23H16F3N3O4S/c24-23(25,26)33-17-10-12-19-16(13-17)9-11-18(28-19)14-5-7-15(8-6-14)22(30)29-20-3-1-2-4-21(20)34(27,31)32/h1-13H,(H,29,30)(H2,27,31,32)
InChIKeyXWQABFWFMMPPSH-UHFFFAOYSA-N
MW487.46 g/mol
LogP4.70
Rot. Bonds5

About N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide

N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide (PubChem CID 58874653) has the molecular formula C23H16F3N3O4S and a molecular weight of 487.46 g/mol. Its IUPAC name is N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide
PubChem CID58874653
Molecular FormulaC23H16F3N3O4S
Molecular Weight487.46 g/mol
Exact Mass487.08
IUPAC NameN-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2ccc3cc(OC(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C23H16F3N3O4S/c24-23(25,26)33-17-10-12-19-16(13-17)9-11-18(28-19)14-5-7-15(8-6-14)22(30)29-20-3-1-2-4-21(20)34(27,31)32/h1-13H,(H,29,30)(H2,27,31,32)
InChIKeyXWQABFWFMMPPSH-UHFFFAOYSA-N
XLogP4.70
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-sulfamoylphenyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzamide
CID 12018920
2-benzamido-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 67342853
4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide
CID 58154602
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16549827
N-(2-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzamide
CID 22645726
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
CID 2441416
methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate
CID 18727915
4-[2-(4-fluorophenyl)ethynyl]-N-(2-sulfamoylphenyl)benzamide
CID 12018921
5-fluoro-N-(2-sulfamoylphenyl)pyridine-3-carboxamide
CID 104786397
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide
CID 58154508
N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-(trifluoromethylsulfanyl)phenyl]quinoline-6-carboxamide
CID 58874527

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide?
The IUPAC name of N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide (CID 58874653) is N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide.
What is the SMILES notation for N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide?
The canonical SMILES for N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide is NS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2ccc3cc(OC(F)(F)F)ccc3n2)cc1.
What is the InChIKey of N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide?
The InChIKey is XWQABFWFMMPPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O4S/c24-23(25,26)33-17-10-12-19-16(13-17)9-11-18(28-19)14-5-7-15(8-6-14)22(30)29-20-3-1-2-4-21(20)34(27,31)32/h1-13H,(H,29,30)(H2,27,31,32).
What are the key properties of N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide?
N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide has a molecular weight of 487.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide is sourced from PubChem (CID 58874653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).