4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine

C18H23N3O2S — CID 138018319

IUPAC4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCc1cccc(C2=CCN(S(=O)(=O)c3c(C)cnn3C)CC2)c1C
InChIInChI=1S/C18H23N3O2S/c1-13-6-5-7-17(15(13)3)16-8-10-21(11-9-16)24(22,23)18-14(2)12-19-20(18)4/h5-8,12H,9-11H2,1-4H3
InChIKeyAZRZWRDQDYBNNK-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.82
Rot. Bonds3

About 4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine

4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 138018319) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine
PubChem CID138018319
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCc1cccc(C2=CCN(S(=O)(=O)c3c(C)cnn3C)CC2)c1C
InChIInChI=1S/C18H23N3O2S/c1-13-6-5-7-17(15(13)3)16-8-10-21(11-9-16)24(22,23)18-14(2)12-19-20(18)4/h5-8,12H,9-11H2,1-4H3
InChIKeyAZRZWRDQDYBNNK-UHFFFAOYSA-N
XLogP2.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine (CID 138018319) is 4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine is Cc1cccc(C2=CCN(S(=O)(=O)c3c(C)cnn3C)CC2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is AZRZWRDQDYBNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-6-5-7-17(15(13)3)16-8-10-21(11-9-16)24(22,23)18-14(2)12-19-20(18)4/h5-8,12H,9-11H2,1-4H3.
What are the key properties of 4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine?
4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 345.47 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 138018319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).