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

C18H17N3O2S — CID 51126282

IUPAC2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H17N3O2S/c1-14-11-15-7-5-6-10-18(15)21(14)24(22,23)17-12-19-20(13-17)16-8-3-2-4-9-16/h2-10,12-14H,11H2,1H3
InChIKeySORLMHWZKOXSGT-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.01
Rot. Bonds3

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

2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole (PubChem CID 51126282) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
PubChem CID51126282
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H17N3O2S/c1-14-11-15-7-5-6-10-18(15)21(14)24(22,23)17-12-19-20(13-17)16-8-3-2-4-9-16/h2-10,12-14H,11H2,1H3
InChIKeySORLMHWZKOXSGT-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 86870315
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
CID 1034220
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
CID 20958624
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 43109587
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole (CID 51126282) is 2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole is CC1Cc2ccccc2N1S(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is SORLMHWZKOXSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-14-11-15-7-5-6-10-18(15)21(14)24(22,23)17-12-19-20(13-17)16-8-3-2-4-9-16/h2-10,12-14H,11H2,1H3.
What are the key properties of 2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole?
2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 339.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 51126282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).