2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide

C21H21F2N5O3S — CID 71229040

IUPAC2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1ncc(-c2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H21F2N5O3S/c1-13-18(27-32(29,30)19-4-3-16(22)10-17(19)23)9-15(11-24-13)20-14(2)25-12-26-21(20)28-5-7-31-8-6-28/h3-4,9-12,27H,5-8H2,1-2H3
InChIKeyMDTSZZBEGYWXFC-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.07
Rot. Bonds5

About 2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 71229040) has the molecular formula C21H21F2N5O3S and a molecular weight of 461.49 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID71229040
Molecular FormulaC21H21F2N5O3S
Molecular Weight461.49 g/mol
Exact Mass461.13
IUPAC Name2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1ncc(-c2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H21F2N5O3S/c1-13-18(27-32(29,30)19-4-3-16(22)10-17(19)23)9-15(11-24-13)20-14(2)25-12-26-21(20)28-5-7-31-8-6-28/h3-4,9-12,27H,5-8H2,1-2H3
InChIKeyMDTSZZBEGYWXFC-UHFFFAOYSA-N
XLogP3.07
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide (CID 71229040) is 2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide is Cc1ncc(-c2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is MDTSZZBEGYWXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3S/c1-13-18(27-32(29,30)19-4-3-16(22)10-17(19)23)9-15(11-24-13)20-14(2)25-12-26-21(20)28-5-7-31-8-6-28/h3-4,9-12,27H,5-8H2,1-2H3.
What are the key properties of 2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 461.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 71229040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).