1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline

C17H17N5O2S — CID 24792555

IUPAC1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-n1cnnn1
InChIInChI=1S/C17H17N5O2S/c1-13-11-15(8-9-16(13)21-12-18-19-20-21)25(23,24)22-10-4-6-14-5-2-3-7-17(14)22/h2-3,5,7-9,11-12H,4,6,10H2,1H3
InChIKeyTYQWFEAZOXWGQD-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.11
Rot. Bonds3

About 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline

1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 24792555) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID24792555
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-n1cnnn1
InChIInChI=1S/C17H17N5O2S/c1-13-11-15(8-9-16(13)21-12-18-19-20-21)25(23,24)22-10-4-6-14-5-2-3-7-17(14)22/h2-3,5,7-9,11-12H,4,6,10H2,1H3
InChIKeyTYQWFEAZOXWGQD-UHFFFAOYSA-N
XLogP2.11
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline (CID 24792555) is 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline is Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-n1cnnn1.
What is the InChIKey of 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is TYQWFEAZOXWGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-13-11-15(8-9-16(13)21-12-18-19-20-21)25(23,24)22-10-4-6-14-5-2-3-7-17(14)22/h2-3,5,7-9,11-12H,4,6,10H2,1H3.
What are the key properties of 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 355.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 24792555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).