1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole

C14H17N3O2S — CID 3242394

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H17N3O2S/c1-10-14(11(2)16(3)15-10)20(18,19)17-9-8-12-6-4-5-7-13(12)17/h4-7H,8-9H2,1-3H3
InChIKeyCWLNRRGUEOSAGW-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.79
Rot. Bonds2

About 1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole

1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole (PubChem CID 3242394) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
PubChem CID3242394
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H17N3O2S/c1-10-14(11(2)16(3)15-10)20(18,19)17-9-8-12-6-4-5-7-13(12)17/h4-7H,8-9H2,1-3H3
InChIKeyCWLNRRGUEOSAGW-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole (CID 3242394) is 1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole is Cc1nn(C)c(C)c1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is CWLNRRGUEOSAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-14(11(2)16(3)15-10)20(18,19)17-9-8-12-6-4-5-7-13(12)17/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 291.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 3242394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).