2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide

C22H16F4N4O3S — CID 175540646

IUPAC2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide
SMILESNC(=O)c1cc(Cc2ccnc(N=S(=O)=O)c2F)c(F)c(F)c1Nc1ccc(C2CC2)cc1F
InChIInChI=1S/C22H16F4N4O3S/c23-15-9-11(10-1-2-10)3-4-16(15)29-20-14(21(27)31)8-13(17(24)19(20)26)7-12-5-6-28-22(18(12)25)30-34(32)33/h3-6,8-10,29H,1-2,7H2,(H2,27,31)
InChIKeyMPLPLHQKRUCRND-UHFFFAOYSA-N
MW492.45 g/mol
LogP4.64
Rot. Bonds7

About 2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide

2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide (PubChem CID 175540646) has the molecular formula C22H16F4N4O3S and a molecular weight of 492.45 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide
PubChem CID175540646
Molecular FormulaC22H16F4N4O3S
Molecular Weight492.45 g/mol
Exact Mass492.09
IUPAC Name2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide
SMILESNC(=O)c1cc(Cc2ccnc(N=S(=O)=O)c2F)c(F)c(F)c1Nc1ccc(C2CC2)cc1F
InChIInChI=1S/C22H16F4N4O3S/c23-15-9-11(10-1-2-10)3-4-16(15)29-20-14(21(27)31)8-13(17(24)19(20)26)7-12-5-6-28-22(18(12)25)30-34(32)33/h3-6,8-10,29H,1-2,7H2,(H2,27,31)
InChIKeyMPLPLHQKRUCRND-UHFFFAOYSA-N
XLogP4.64
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide with MolForge

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Related Compounds

sodium [4-[[5-carbamoyl-4-(4-cyclopropyl-2-fluoroanilino)-2,3-difluorophenyl]methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide
CID 171904222
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-methylanilino)-5-[[3-fluoro-2-(oxan-4-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide
CID 167289383
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide
CID 167289384
5-[(2-amino-3-fluoro-4-pyridinyl)methyl]-N-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 156808935
5-[(2-amino-3-fluoro-4-pyridinyl)methyl]-N-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide
CID 166677302
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-[[methyl(propylamino)amino]sulfanyloxyamino]-4-pyridinyl]methyl]benzamide;sulfane
CID 166677316
5-[[3-(cyclopropylsulfonylamino)-2-fluorophenyl]methyl]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 156808795
5-[[2-(but-1-en-2-ylsulfamoylamino)-3-fluoro-4-pyridinyl]methyl]-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide
CID 170230658
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[3-fluoro-2-[2-methoxyethyl(sulfamoyl)amino]-4-pyridinyl]methyl]benzamide
CID 175291124
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-[(hydroxyamino)methyl]benzamide;ethane
CID 143173019

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide (CID 175540646) is 2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide is NC(=O)c1cc(Cc2ccnc(N=S(=O)=O)c2F)c(F)c(F)c1Nc1ccc(C2CC2)cc1F.
What is the InChIKey of 2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide?
The InChIKey is MPLPLHQKRUCRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O3S/c23-15-9-11(10-1-2-10)3-4-16(15)29-20-14(21(27)31)8-13(17(24)19(20)26)7-12-5-6-28-22(18(12)25)30-34(32)33/h3-6,8-10,29H,1-2,7H2,(H2,27,31).
What are the key properties of 2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide?
2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide has a molecular weight of 492.45 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-fluoroanilino)-3,4-difluoro-5-[[3-fluoro-2-(sulfonylamino)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 175540646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).