4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

C19H25F2N3O5S — CID 87189625

IUPAC4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1ccc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)c(OC)n1
InChIInChI=1S/C19H25F2N3O5S/c1-3-10-22-11-12-28-18-9-8-16(19(23-18)27-2)24-30(25,26)15-6-4-14(5-7-15)29-13-17(20)21/h4-9,17,22,24H,3,10-13H2,1-2H3
InChIKeyNXLKNHMHIPBYMB-UHFFFAOYSA-N
MW445.49 g/mol
LogP2.91
Rot. Bonds13

About 4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (PubChem CID 87189625) has the molecular formula C19H25F2N3O5S and a molecular weight of 445.49 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
PubChem CID87189625
Molecular FormulaC19H25F2N3O5S
Molecular Weight445.49 g/mol
Exact Mass445.15
IUPAC Name4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1ccc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)c(OC)n1
InChIInChI=1S/C19H25F2N3O5S/c1-3-10-22-11-12-28-18-9-8-16(19(23-18)27-2)24-30(25,26)15-6-4-14(5-7-15)29-13-17(20)21/h4-9,17,22,24H,3,10-13H2,1-2H3
InChIKeyNXLKNHMHIPBYMB-UHFFFAOYSA-N
XLogP2.91
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 24784872
4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66883107
4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 90690627
4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 24785114
4-[(2S)-1-fluoropropan-2-yl]-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66882499
N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
CID 66720161
N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide
CID 62349082
N-[2-(4-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 43807211
4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 75476941
4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715981
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (CID 87189625) is 4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is CCCNCCOc1ccc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)c(OC)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The InChIKey is NXLKNHMHIPBYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O5S/c1-3-10-22-11-12-28-18-9-8-16(19(23-18)27-2)24-30(25,26)15-6-4-14(5-7-15)29-13-17(20)21/h4-9,17,22,24H,3,10-13H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide has a molecular weight of 445.49 g/mol, XLogP of 2.91, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 87189625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).