1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride

C13H16ClN3O2S — CID 6602882

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCc2ccccc21.Cl
InChIInChI=1S/C13H15N3O2S.ClH/c1-9-13(10(2)15-14-9)19(17,18)16-8-7-11-5-3-4-6-12(11)16;/h3-6H,7-8H2,1-2H3,(H,14,15);1H
InChIKeyCVYAFGKJJFOHJQ-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.20
Rot. Bonds2

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride (PubChem CID 6602882) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride
PubChem CID6602882
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCc2ccccc21.Cl
InChIInChI=1S/C13H15N3O2S.ClH/c1-9-13(10(2)15-14-9)19(17,18)16-8-7-11-5-3-4-6-12(11)16;/h3-6H,7-8H2,1-2H3,(H,14,15);1H
InChIKeyCVYAFGKJJFOHJQ-UHFFFAOYSA-N
XLogP2.20
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride (CID 6602882) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2ccccc21.Cl.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride?
The InChIKey is CVYAFGKJJFOHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S.ClH/c1-9-13(10(2)15-14-9)19(17,18)16-8-7-11-5-3-4-6-12(11)16;/h3-6H,7-8H2,1-2H3,(H,14,15);1H.
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride has a molecular weight of 313.81 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole;hydrochloride is sourced from PubChem (CID 6602882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).