1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole

C18H19N3O3S — CID 90999914

IUPAC1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole
SMILESO=S(=O)(c1ccccc1)n1ncc2c(OC[C@H]3CCCN3)cccc21
InChIInChI=1S/C18H19N3O3S/c22-25(23,15-7-2-1-3-8-15)21-17-9-4-10-18(16(17)12-20-21)24-13-14-6-5-11-19-14/h1-4,7-10,12,14,19H,5-6,11,13H2/t14-/m1/s1
InChIKeyKUYOUPWXYPLWGK-CQSZACIVSA-N
MW357.44 g/mol
LogP2.40
Rot. Bonds5

About 1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole

1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole (PubChem CID 90999914) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole
PubChem CID90999914
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole
SMILESO=S(=O)(c1ccccc1)n1ncc2c(OC[C@H]3CCCN3)cccc21
InChIInChI=1S/C18H19N3O3S/c22-25(23,15-7-2-1-3-8-15)21-17-9-4-10-18(16(17)12-20-21)24-13-14-6-5-11-19-14/h1-4,7-10,12,14,19H,5-6,11,13H2/t14-/m1/s1
InChIKeyKUYOUPWXYPLWGK-CQSZACIVSA-N
XLogP2.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole?
The IUPAC name of 1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole (CID 90999914) is 1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole?
The canonical SMILES for 1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole is O=S(=O)(c1ccccc1)n1ncc2c(OC[C@H]3CCCN3)cccc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole?
The InChIKey is KUYOUPWXYPLWGK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-25(23,15-7-2-1-3-8-15)21-17-9-4-10-18(16(17)12-20-21)24-13-14-6-5-11-19-14/h1-4,7-10,12,14,19H,5-6,11,13H2/t14-/m1/s1.
What are the key properties of 1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole?
1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole has a molecular weight of 357.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole is sourced from PubChem (CID 90999914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).