4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

C20H27F2N3O3S — CID 66883398

IUPAC4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1cc(C)c(NS(=O)(=O)c2ccc([C@@H](C)C(F)F)cc2)cn1
InChIInChI=1S/C20H27F2N3O3S/c1-4-9-23-10-11-28-19-12-14(2)18(13-24-19)25-29(26,27)17-7-5-16(6-8-17)15(3)20(21)22/h5-8,12-13,15,20,23,25H,4,9-11H2,1-3H3/t15-/m1/s1
InChIKeyCVZJIDBEVHAMPP-OAHLLOKOSA-N
MW427.52 g/mol
LogP3.94
Rot. Bonds11

About 4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (PubChem CID 66883398) has the molecular formula C20H27F2N3O3S and a molecular weight of 427.52 g/mol. Its IUPAC name is 4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
PubChem CID66883398
Molecular FormulaC20H27F2N3O3S
Molecular Weight427.52 g/mol
Exact Mass427.17
IUPAC Name4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1cc(C)c(NS(=O)(=O)c2ccc([C@@H](C)C(F)F)cc2)cn1
InChIInChI=1S/C20H27F2N3O3S/c1-4-9-23-10-11-28-19-12-14(2)18(13-24-19)25-29(26,27)17-7-5-16(6-8-17)15(3)20(21)22/h5-8,12-13,15,20,23,25H,4,9-11H2,1-3H3/t15-/m1/s1
InChIKeyCVZJIDBEVHAMPP-OAHLLOKOSA-N
XLogP3.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
CID 155534269
N1-[6-(3-pyridyloxy)-3-pyridyl]-4-methylbenzene-1-sulfonamide
CID 2800181
N-{5-[(1E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide
CID 146171270
1-(6-Methoxypyridin-3-yl)-3-(4-methylphenyl)sulfonylurea
CID 2815591
N-(6-methoxy-3-pyridinyl)-9H-fluorene-2-sulfonamide
CID 2228164
4-Methyl-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
CID 10915968
N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 122579293
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
CID 127049806
Synthesis of N-[7-amino-5-(toluene-3-sulfonyl)-5,6,7,8-tetrahydro-9-oxa-1,5-diaza-benzocyclohepten-3-yl]-2,2,2-trifluoro-acetamide
CID 90011747
1-[2-(Cyclopropylmethoxy)-5-(2,2,2-trifluoroethylsulfamoyl)pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90101463
1-[2-Ethoxy-5-(oxetan-3-ylsulfamoyl)pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90101474
1-[2-(Cyclopropylmethoxy)-5-(oxetan-3-ylsulfamoyl)pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90101493

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (CID 66883398) is 4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is CCCNCCOc1cc(C)c(NS(=O)(=O)c2ccc([C@@H](C)C(F)F)cc2)cn1.
What is the InChIKey of 4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The InChIKey is CVZJIDBEVHAMPP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27F2N3O3S/c1-4-9-23-10-11-28-19-12-14(2)18(13-24-19)25-29(26,27)17-7-5-16(6-8-17)15(3)20(21)22/h5-8,12-13,15,20,23,25H,4,9-11H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide has a molecular weight of 427.52 g/mol, XLogP of 3.94, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1,1-difluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 66883398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).