[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol

C14H16ClN3O3S — CID 167870462

IUPAC[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CC(CO)c2ccccc21
InChIInChI=1S/C14H16ClN3O3S/c1-9-13(14(15)17(2)16-9)22(20,21)18-7-10(8-19)11-5-3-4-6-12(11)18/h3-6,10,19H,7-8H2,1-2H3
InChIKeyWAOVVBRVQSQPIX-UHFFFAOYSA-N
MW341.82 g/mol
LogP1.67
Rot. Bonds3

About [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol

[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol (PubChem CID 167870462) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol
PubChem CID167870462
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CC(CO)c2ccccc21
InChIInChI=1S/C14H16ClN3O3S/c1-9-13(14(15)17(2)16-9)22(20,21)18-7-10(8-19)11-5-3-4-6-12(11)18/h3-6,10,19H,7-8H2,1-2H3
InChIKeyWAOVVBRVQSQPIX-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol?
The IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol (CID 167870462) is [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol.
What is the SMILES notation for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol?
The canonical SMILES for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC(CO)c2ccccc21.
What is the InChIKey of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol?
The InChIKey is WAOVVBRVQSQPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-9-13(14(15)17(2)16-9)22(20,21)18-7-10(8-19)11-5-3-4-6-12(11)18/h3-6,10,19H,7-8H2,1-2H3.
What are the key properties of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol?
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol has a molecular weight of 341.82 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-3-yl]methanol is sourced from PubChem (CID 167870462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).