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

C20H28FN3O3S — CID 66883153

IUPAC4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1cc(C)c(NS(=O)(=O)c2ccc(C(C)CF)cc2)cn1
InChIInChI=1S/C20H28FN3O3S/c1-4-9-22-10-11-27-20-12-15(2)19(14-23-20)24-28(25,26)18-7-5-17(6-8-18)16(3)13-21/h5-8,12,14,16,22,24H,4,9-11,13H2,1-3H3
InChIKeySSJZXAVQOYFUSW-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.64
Rot. Bonds11

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

4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (PubChem CID 66883153) has the molecular formula C20H28FN3O3S and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
PubChem CID66883153
Molecular FormulaC20H28FN3O3S
Molecular Weight409.53 g/mol
Exact Mass409.18
IUPAC Name4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1cc(C)c(NS(=O)(=O)c2ccc(C(C)CF)cc2)cn1
InChIInChI=1S/C20H28FN3O3S/c1-4-9-22-10-11-27-20-12-15(2)19(14-23-20)24-28(25,26)18-7-5-17(6-8-18)16(3)13-21/h5-8,12,14,16,22,24H,4,9-11,13H2,1-3H3
InChIKeySSJZXAVQOYFUSW-UHFFFAOYSA-N
XLogP3.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.64
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-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-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

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
2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 934901
2-[(4-Ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1085939
1-(6-Methoxypyridin-3-yl)-3-(4-methylphenyl)sulfonylurea
CID 2815591
N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3-yloxy)-propylamino]-ethyl}-phenyl)-4-isopropyl-benzenesulfonamide
CID 44307007
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide
CID 127027386
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-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 56926595
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (CID 66883153) is 4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is CCCNCCOc1cc(C)c(NS(=O)(=O)c2ccc(C(C)CF)cc2)cn1.
What is the InChIKey of 4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The InChIKey is SSJZXAVQOYFUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3S/c1-4-9-22-10-11-27-20-12-15(2)19(14-23-20)24-28(25,26)18-7-5-17(6-8-18)16(3)13-21/h5-8,12,14,16,22,24H,4,9-11,13H2,1-3H3.
What are the key properties of 4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide has a molecular weight of 409.53 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-fluoropropan-2-yl]-N-[4-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 66883153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).