1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole

C17H21N3O2S — CID 146106156

IUPAC1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole
SMILESCC1(C)Cc2ccccc2N1S(=O)(=O)c1ccnn1C1CCC1
InChIInChI=1S/C17H21N3O2S/c1-17(2)12-13-6-3-4-9-15(13)20(17)23(21,22)16-10-11-18-19(16)14-7-5-8-14/h3-4,6,9-11,14H,5,7-8,12H2,1-2H3
InChIKeyWNFKIKKZFWIVJD-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.14
Rot. Bonds3

About 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole

1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole (PubChem CID 146106156) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole.

Molecular Properties

Compound Name1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole
PubChem CID146106156
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole
SMILESCC1(C)Cc2ccccc2N1S(=O)(=O)c1ccnn1C1CCC1
InChIInChI=1S/C17H21N3O2S/c1-17(2)12-13-6-3-4-9-15(13)20(17)23(21,22)16-10-11-18-19(16)14-7-5-8-14/h3-4,6,9-11,14H,5,7-8,12H2,1-2H3
InChIKeyWNFKIKKZFWIVJD-UHFFFAOYSA-N
XLogP3.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole?
The IUPAC name of 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole (CID 146106156) is 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole.
What is the SMILES notation for 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole?
The canonical SMILES for 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole is CC1(C)Cc2ccccc2N1S(=O)(=O)c1ccnn1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole?
The InChIKey is WNFKIKKZFWIVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-17(2)12-13-6-3-4-9-15(13)20(17)23(21,22)16-10-11-18-19(16)14-7-5-8-14/h3-4,6,9-11,14H,5,7-8,12H2,1-2H3.
What are the key properties of 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole?
1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole has a molecular weight of 331.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole is sourced from PubChem (CID 146106156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).