1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine

C17H20N2O2S — CID 17435017

IUPAC1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCCCc1ccc(S(=O)(=O)N2CCCc3ncccc32)cc1
InChIInChI=1S/C17H20N2O2S/c1-2-5-14-8-10-15(11-9-14)22(20,21)19-13-4-6-16-17(19)7-3-12-18-16/h3,7-12H,2,4-6,13H2,1H3
InChIKeyIPEHFSLWUBDOLR-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine

1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 17435017) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID17435017
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCCCc1ccc(S(=O)(=O)N2CCCc3ncccc32)cc1
InChIInChI=1S/C17H20N2O2S/c1-2-5-14-8-10-15(11-9-14)22(20,21)19-13-4-6-16-17(19)7-3-12-18-16/h3,7-12H,2,4-6,13H2,1H3
InChIKeyIPEHFSLWUBDOLR-UHFFFAOYSA-N
XLogP3.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine (CID 17435017) is 1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine is CCCc1ccc(S(=O)(=O)N2CCCc3ncccc32)cc1.
What is the InChIKey of 1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is IPEHFSLWUBDOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-5-14-8-10-15(11-9-14)22(20,21)19-13-4-6-16-17(19)7-3-12-18-16/h3,7-12H,2,4-6,13H2,1H3.
What are the key properties of 1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 316.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 17435017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).