4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

C19H26FN3O4S — CID 24785114

IUPAC4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1ccc(NS(=O)(=O)c2ccc(OCCF)cc2)c(C)n1
InChIInChI=1S/C19H26FN3O4S/c1-3-11-21-12-14-27-19-9-8-18(15(2)22-19)23-28(24,25)17-6-4-16(5-7-17)26-13-10-20/h4-9,21,23H,3,10-14H2,1-2H3
InChIKeyALYDXBJNWFPMPK-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.92
Rot. Bonds12

About 4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (PubChem CID 24785114) has the molecular formula C19H26FN3O4S and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
PubChem CID24785114
Molecular FormulaC19H26FN3O4S
Molecular Weight411.50 g/mol
Exact Mass411.16
IUPAC Name4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1ccc(NS(=O)(=O)c2ccc(OCCF)cc2)c(C)n1
InChIInChI=1S/C19H26FN3O4S/c1-3-11-21-12-14-27-19-9-8-18(15(2)22-19)23-28(24,25)17-6-4-16(5-7-17)26-13-10-20/h4-9,21,23H,3,10-14H2,1-2H3
InChIKeyALYDXBJNWFPMPK-UHFFFAOYSA-N
XLogP2.92
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-1-fluoropropan-2-yl]-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66882499
4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 87189625
4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 90690627
4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66883107
4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 24784872
N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide
CID 62349082
N-[2-(4-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 43807211
1-[3-[(5-amino-6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one;(E)-but-2-enedioic acid;4-(2-fluoroethoxy)-N-[2-methyl-6-(1-propylpyrrolidin-3-yl)oxy-3-pyridinyl]benzenesulfonamide
CID 158377097
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
CID 66720161
N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide
CID 103341282
N-[2-(4-methylsulfonylphenoxy)ethyl]butan-1-amine
CID 62584720

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (CID 24785114) is 4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is CCCNCCOc1ccc(NS(=O)(=O)c2ccc(OCCF)cc2)c(C)n1.
What is the InChIKey of 4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The InChIKey is ALYDXBJNWFPMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O4S/c1-3-11-21-12-14-27-19-9-8-18(15(2)22-19)23-28(24,25)17-6-4-16(5-7-17)26-13-10-20/h4-9,21,23H,3,10-14H2,1-2H3.
What are the key properties of 4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide has a molecular weight of 411.50 g/mol, XLogP of 2.92, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 24785114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).