4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

C19H26FN3O5S — CID 90690627

IUPAC4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCOc1nc(OCCNC(C)C)ccc1NS(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C19H26FN3O5S/c1-14(2)21-11-13-28-18-9-8-17(19(22-18)26-3)23-29(24,25)16-6-4-15(5-7-16)27-12-10-20/h4-9,14,21,23H,10-13H2,1-3H3
InChIKeyVXPWGZHODBMJOT-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.62
Rot. Bonds12

About 4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (PubChem CID 90690627) has the molecular formula C19H26FN3O5S and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
PubChem CID90690627
Molecular FormulaC19H26FN3O5S
Molecular Weight427.50 g/mol
Exact Mass427.16
IUPAC Name4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCOc1nc(OCCNC(C)C)ccc1NS(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C19H26FN3O5S/c1-14(2)21-11-13-28-18-9-8-17(19(22-18)26-3)23-29(24,25)16-6-4-15(5-7-16)27-12-10-20/h4-9,14,21,23H,10-13H2,1-3H3
InChIKeyVXPWGZHODBMJOT-UHFFFAOYSA-N
XLogP2.62
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.62
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-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 87189625
4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66883107
4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 24785114
4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 24784872
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
4-[(2S)-1-fluoropropan-2-yl]-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66882499
4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62664978
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 71862788
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 112994890
N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
CID 66720161

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (CID 90690627) is 4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is COc1nc(OCCNC(C)C)ccc1NS(=O)(=O)c1ccc(OCCF)cc1.
What is the InChIKey of 4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The InChIKey is VXPWGZHODBMJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O5S/c1-14(2)21-11-13-28-18-9-8-17(19(22-18)26-3)23-29(24,25)16-6-4-15(5-7-16)27-12-10-20/h4-9,14,21,23H,10-13H2,1-3H3.
What are the key properties of 4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide has a molecular weight of 427.50 g/mol, XLogP of 2.62, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 90690627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).