7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole

C18H17N3O2S — CID 154796771

IUPAC7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCc1cccc2c1N(S(=O)(=O)c1cnn(-c3ccccc3)c1)CC2
InChIInChI=1S/C18H17N3O2S/c1-14-6-5-7-15-10-11-21(18(14)15)24(22,23)17-12-19-20(13-17)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3
InChIKeyRLBRSMSQFACFKL-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.93
Rot. Bonds3

About 7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole

7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole (PubChem CID 154796771) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
PubChem CID154796771
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCc1cccc2c1N(S(=O)(=O)c1cnn(-c3ccccc3)c1)CC2
InChIInChI=1S/C18H17N3O2S/c1-14-6-5-7-15-10-11-21(18(14)15)24(22,23)17-12-19-20(13-17)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3
InChIKeyRLBRSMSQFACFKL-UHFFFAOYSA-N
XLogP2.93
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole (CID 154796771) is 7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole is Cc1cccc2c1N(S(=O)(=O)c1cnn(-c3ccccc3)c1)CC2.
What is the InChIKey of 7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is RLBRSMSQFACFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-14-6-5-7-15-10-11-21(18(14)15)24(22,23)17-12-19-20(13-17)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 339.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 154796771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).