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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Related Compounds

Benzyl-[2-(1H-indazol-4-yloxy)-ethyl]-amine
CID 9816808
N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16666385
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide
CID 57690902
N-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]propan-2-amine
CID 44389519
1-(2-Fluorophenyl)sulfonyl-4-pyrrolidin-3-yloxyindazole
CID 9968895
1-(4-Fluorophenyl)sulfonyl-4-(2-piperidin-1-ylethoxy)indazole
CID 10222823
1-(2-Fluorophenyl)sulfonyl-4-(piperidin-2-ylmethoxy)indazole
CID 10293704
N-((1S)-2-{[1-(4-Fluorophenyl)-1H-indazol-4-yl]oxy}-1-methylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16665610
1-tert-butyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 16665680
N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1-[(3R)-oxolan-3-yl]pyrazole-4-sulfonamide
CID 16665682
N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethyl-1-pentan-3-ylpyrazole-4-sulfonamide
CID 16665683
1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 16665685

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).