2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide

C21H18F2N6O2S — CID 118249359

IUPAC2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
SMILESCc1ncc(-c2ccnc(Nc3ccn(C)n3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H18F2N6O2S/c1-13-18(28-32(30,31)19-4-3-16(22)11-17(19)23)9-15(12-25-13)14-5-7-24-21(10-14)26-20-6-8-29(2)27-20/h3-12,28H,1-2H3,(H,24,26,27)
InChIKeyGMBJMXRDAOHQAS-UHFFFAOYSA-N
MW456.48 g/mol
LogP4.01
Rot. Bonds6

About 2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 118249359) has the molecular formula C21H18F2N6O2S and a molecular weight of 456.48 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
PubChem CID118249359
Molecular FormulaC21H18F2N6O2S
Molecular Weight456.48 g/mol
Exact Mass456.12
IUPAC Name2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
SMILESCc1ncc(-c2ccnc(Nc3ccn(C)n3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H18F2N6O2S/c1-13-18(28-32(30,31)19-4-3-16(22)11-17(19)23)9-15(12-25-13)14-5-7-24-21(10-14)26-20-6-8-29(2)27-20/h3-12,28H,1-2H3,(H,24,26,27)
InChIKeyGMBJMXRDAOHQAS-UHFFFAOYSA-N
XLogP4.01
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118249308
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 123714762
2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 71229040
2,4-difluoro-N-(2-methoxy-5-pyrazolo[1,5-a]pyridin-5-yl-3-pyridinyl)benzenesulfonamide
CID 86729955
2,4-difluoro-N-[2-(methylamino)-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 161390016
2,4-difluoro-N-[2-methoxy-5-[2-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-3-pyridinyl]benzenesulfonamide
CID 71531936
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 141471209
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 137371140
2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide
CID 71531982

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide (CID 118249359) is 2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide is Cc1ncc(-c2ccnc(Nc3ccn(C)n3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is GMBJMXRDAOHQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O2S/c1-13-18(28-32(30,31)19-4-3-16(22)11-17(19)23)9-15(12-25-13)14-5-7-24-21(10-14)26-20-6-8-29(2)27-20/h3-12,28H,1-2H3,(H,24,26,27).
What are the key properties of 2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 456.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 118249359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).