1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole

C17H17FN4O2S — CID 10109160

IUPAC1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole
SMILESO=S(=O)(c1ccc(F)cc1)n1ncc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C17H17FN4O2S/c18-14-2-5-16(6-3-14)25(23,24)22-17-11-15(4-1-13(17)12-20-22)21-9-7-19-8-10-21/h1-6,11-12,19H,7-10H2
InChIKeyQKYKZJKFPNBMRL-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.82
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole

1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole (PubChem CID 10109160) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole
PubChem CID10109160
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole
SMILESO=S(=O)(c1ccc(F)cc1)n1ncc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C17H17FN4O2S/c18-14-2-5-16(6-3-14)25(23,24)22-17-11-15(4-1-13(17)12-20-22)21-9-7-19-8-10-21/h1-6,11-12,19H,7-10H2
InChIKeyQKYKZJKFPNBMRL-UHFFFAOYSA-N
XLogP1.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole (CID 10109160) is 1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole is O=S(=O)(c1ccc(F)cc1)n1ncc2ccc(N3CCNCC3)cc21.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole?
The InChIKey is QKYKZJKFPNBMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-14-2-5-16(6-3-14)25(23,24)22-17-11-15(4-1-13(17)12-20-22)21-9-7-19-8-10-21/h1-6,11-12,19H,7-10H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole?
1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole has a molecular weight of 360.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-6-piperazin-1-ylindazole is sourced from PubChem (CID 10109160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).