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

C19H19N3O2S — CID 86870315

IUPAC1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H19N3O2S/c1-15-11-17-9-5-6-10-19(17)22(15)25(23,24)18-12-20-21(14-18)13-16-7-3-2-4-8-16/h2-10,12,14-15H,11,13H2,1H3
InChIKeyYZEROTPJMYSOLQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.07
Rot. Bonds4

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

1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 86870315) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID86870315
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H19N3O2S/c1-15-11-17-9-5-6-10-19(17)22(15)25(23,24)18-12-20-21(14-18)13-16-7-3-2-4-8-16/h2-10,12,14-15H,11,13H2,1H3
InChIKeyYZEROTPJMYSOLQ-UHFFFAOYSA-N
XLogP3.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 51126282
(1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 99585246
(2S,5S)-4-(1-benzylpyrazol-4-yl)sulfonyl-2,5-dimethylmorpholine
CID 98750623
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
CID 1034220
4-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-6-phenylmorpholine
CID 86870426
[(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 125146183
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
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
(1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 124689676

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole (CID 86870315) is 1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1S(=O)(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is YZEROTPJMYSOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-15-11-17-9-5-6-10-19(17)22(15)25(23,24)18-12-20-21(14-18)13-16-7-3-2-4-8-16/h2-10,12,14-15H,11,13H2,1H3.
What are the key properties of 1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 353.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 86870315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).