1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline

C14H17N3O2S — CID 6465837

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H17N3O2S/c1-11-14(10-16(2)15-11)20(18,19)17-9-5-7-12-6-3-4-8-13(12)17/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyBSNCUQGZRIXWGG-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.87
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 6465837) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID6465837
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H17N3O2S/c1-11-14(10-16(2)15-11)20(18,19)17-9-5-7-12-6-3-4-8-13(12)17/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyBSNCUQGZRIXWGG-UHFFFAOYSA-N
XLogP1.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline (CID 6465837) is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline is Cc1nn(C)cc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is BSNCUQGZRIXWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-14(10-16(2)15-11)20(18,19)17-9-5-7-12-6-3-4-8-13(12)17/h3-4,6,8,10H,5,7,9H2,1-2H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 291.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 6465837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).