5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide

C22H16ClF4N3O4S — CID 175481939

IUPAC5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2C2CCOc3cc(F)ccc32)ccn1
InChIInChI=1S/C22H16ClF4N3O4S/c23-18-10-16(21(31)30-12-3-5-29-20(8-12)35(28,32)33)15(9-17(18)22(25,26)27)13-4-6-34-19-7-11(24)1-2-14(13)19/h1-3,5,7-10,13H,4,6H2,(H2,28,32,33)(H,29,30,31)
InChIKeyOYGCAMQRKAWPDK-UHFFFAOYSA-N
MW529.90 g/mol
LogP4.71
Rot. Bonds4

About 5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide

5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 175481939) has the molecular formula C22H16ClF4N3O4S and a molecular weight of 529.90 g/mol. Its IUPAC name is 5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID175481939
Molecular FormulaC22H16ClF4N3O4S
Molecular Weight529.90 g/mol
Exact Mass529.05
IUPAC Name5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2C2CCOc3cc(F)ccc32)ccn1
InChIInChI=1S/C22H16ClF4N3O4S/c23-18-10-16(21(31)30-12-3-5-29-20(8-12)35(28,32)33)15(9-17(18)22(25,26)27)13-4-6-34-19-7-11(24)1-2-14(13)19/h1-3,5,7-10,13H,4,6H2,(H2,28,32,33)(H,29,30,31)
InChIKeyOYGCAMQRKAWPDK-UHFFFAOYSA-N
XLogP4.71
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.90
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-(trifluoromethyl)benzoyl chloride
CID 170311599
2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
CID 170311595
5-chloro-N-[2-[[(3S)-1-ethylpyrrolidin-3-yl]sulfamoyl]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide
CID 176866222
tert-butyl 4-[[4-[[5-chloro-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]sulfonylamino]piperidine-1-carboxylate
CID 176866190
2-[(1S,5R)-3-azabicyclo[3.2.0]heptan-3-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525717
2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525666
5-chloro-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146576273
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 158004161
2-(4-bromo-2-methoxyphenoxy)-5-chloro-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-4-(trifluoromethyl)benzamide
CID 171071907
2-(5,5-difluoro-2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146576274
5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 147818169

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide (CID 175481939) is 5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide is NS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2C2CCOc3cc(F)ccc32)ccn1.
What is the InChIKey of 5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is OYGCAMQRKAWPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF4N3O4S/c23-18-10-16(21(31)30-12-3-5-29-20(8-12)35(28,32)33)15(9-17(18)22(25,26)27)13-4-6-34-19-7-11(24)1-2-14(13)19/h1-3,5,7-10,13H,4,6H2,(H2,28,32,33)(H,29,30,31).
What are the key properties of 5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide?
5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide has a molecular weight of 529.90 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 175481939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).