3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide

C23H23F4N5O3S — CID 167289384

IUPAC3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide
SMILESCc1ccc(Nc2c(C(N)=O)cc(Cc3ccnc(NS(=O)(=O)NC(C)C)c3F)c(F)c2F)c(F)c1
InChIInChI=1S/C23H23F4N5O3S/c1-11(2)31-36(34,35)32-23-19(26)13(6-7-29-23)9-14-10-15(22(28)33)21(20(27)18(14)25)30-17-5-4-12(3)8-16(17)24/h4-8,10-11,30-31H,9H2,1-3H3,(H2,28,33)(H,29,32)
InChIKeyMAKWSHXLYBSQPU-UHFFFAOYSA-N
MW525.53 g/mol
LogP4.03
Rot. Bonds9

About 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide

3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide (PubChem CID 167289384) has the molecular formula C23H23F4N5O3S and a molecular weight of 525.53 g/mol. Its IUPAC name is 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide
PubChem CID167289384
Molecular FormulaC23H23F4N5O3S
Molecular Weight525.53 g/mol
Exact Mass525.15
IUPAC Name3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide
SMILESCc1ccc(Nc2c(C(N)=O)cc(Cc3ccnc(NS(=O)(=O)NC(C)C)c3F)c(F)c2F)c(F)c1
InChIInChI=1S/C23H23F4N5O3S/c1-11(2)31-36(34,35)32-23-19(26)13(6-7-29-23)9-14-10-15(22(28)33)21(20(27)18(14)25)30-17-5-4-12(3)8-16(17)24/h4-8,10-11,30-31H,9H2,1-3H3,(H2,28,33)(H,29,32)
InChIKeyMAKWSHXLYBSQPU-UHFFFAOYSA-N
XLogP4.03
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.53
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]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-[[2-(but-1-en-2-ylsulfamoylamino)-3-fluoro-4-pyridinyl]methyl]-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide
CID 170230658
2-(2,4-dimethylanilino)-3,4-difluoro-5-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]benzamide
CID 167289688
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(oxan-4-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide
CID 167289383
2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]benzamide
CID 156808716
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-N'-propan-2-ylbenzohydrazide
CID 177168327
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-[[methyl(propylamino)amino]sulfanyloxyamino]-4-pyridinyl]methyl]benzamide;sulfane
CID 166677316
2-(4-bromo-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-N-methoxybenzamide
CID 156808833
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane
CID 143173019
N-[(1R)-2,2-difluorocyclopropyl]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]benzamide
CID 175699256
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-N'-prop-2-ynylbenzohydrazide
CID 177168338
5-[[2-(ethylsulfamoylamino)-3-fluoro-4-pyridinyl]methyl]-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 156808768
5-[(2-amino-3-fluoro-4-pyridinyl)methyl]-N-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide
CID 166677302

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide (CID 167289384) is 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide is Cc1ccc(Nc2c(C(N)=O)cc(Cc3ccnc(NS(=O)(=O)NC(C)C)c3F)c(F)c2F)c(F)c1.
What is the InChIKey of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide?
The InChIKey is MAKWSHXLYBSQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O3S/c1-11(2)31-36(34,35)32-23-19(26)13(6-7-29-23)9-14-10-15(22(28)33)21(20(27)18(14)25)30-17-5-4-12(3)8-16(17)24/h4-8,10-11,30-31H,9H2,1-3H3,(H2,28,33)(H,29,32).
What are the key properties of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide?
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide has a molecular weight of 525.53 g/mol, XLogP of 4.03, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 167289384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).