1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole

C15H19N3O2S — CID 136537139

IUPAC1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole
SMILESCC(C)C1CN(S(=O)(=O)c2ccn(C)n2)c2ccccc21
InChIInChI=1S/C15H19N3O2S/c1-11(2)13-10-18(14-7-5-4-6-12(13)14)21(19,20)15-8-9-17(3)16-15/h4-9,11,13H,10H2,1-3H3
InChIKeyABBGOPZAIMSFKU-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.37
Rot. Bonds3

About 1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole

1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole (PubChem CID 136537139) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole
PubChem CID136537139
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole
SMILESCC(C)C1CN(S(=O)(=O)c2ccn(C)n2)c2ccccc21
InChIInChI=1S/C15H19N3O2S/c1-11(2)13-10-18(14-7-5-4-6-12(13)14)21(19,20)15-8-9-17(3)16-15/h4-9,11,13H,10H2,1-3H3
InChIKeyABBGOPZAIMSFKU-UHFFFAOYSA-N
XLogP2.37
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole?
The IUPAC name of 1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole (CID 136537139) is 1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole is CC(C)C1CN(S(=O)(=O)c2ccn(C)n2)c2ccccc21.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole?
The InChIKey is ABBGOPZAIMSFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11(2)13-10-18(14-7-5-4-6-12(13)14)21(19,20)15-8-9-17(3)16-15/h4-9,11,13H,10H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole?
1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole has a molecular weight of 305.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 136537139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).