6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole

C14H20N4O2S — CID 126783080

IUPAC6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole
SMILESCCS(=O)(=O)N1CCN(Cc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C14H20N4O2S/c1-2-21(19,20)18-7-5-17(6-8-18)11-12-3-4-13-10-15-16-14(13)9-12/h3-4,9-10H,2,5-8,11H2,1H3,(H,15,16)
InChIKeyURGDPVCXRLXNRP-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.03
Rot. Bonds4

About 6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole

6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole (PubChem CID 126783080) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole.

Molecular Properties

Compound Name6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole
PubChem CID126783080
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole
SMILESCCS(=O)(=O)N1CCN(Cc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C14H20N4O2S/c1-2-21(19,20)18-7-5-17(6-8-18)11-12-3-4-13-10-15-16-14(13)9-12/h3-4,9-10H,2,5-8,11H2,1H3,(H,15,16)
InChIKeyURGDPVCXRLXNRP-UHFFFAOYSA-N
XLogP1.03
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole?
The IUPAC name of 6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole (CID 126783080) is 6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole.
What is the SMILES notation for 6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole?
The canonical SMILES for 6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole is CCS(=O)(=O)N1CCN(Cc2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of 6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole?
The InChIKey is URGDPVCXRLXNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-21(19,20)18-7-5-17(6-8-18)11-12-3-4-13-10-15-16-14(13)9-12/h3-4,9-10H,2,5-8,11H2,1H3,(H,15,16).
What are the key properties of 6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole?
6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole has a molecular weight of 308.41 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole is sourced from PubChem (CID 126783080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).