6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole

C17H17FN4O2S — CID 91827423

IUPAC6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cn1)N1CCNCC1
InChIInChI=1S/C17H17FN4O2S/c18-13-2-3-14-15(11-20-16(14)9-13)12-1-4-17(21-10-12)25(23,24)22-7-5-19-6-8-22/h1-4,9-11,19-20H,5-8H2
InChIKeyNGLVQPMFIGBUNR-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.96
Rot. Bonds3

About 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole

6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole (PubChem CID 91827423) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
PubChem CID91827423
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cn1)N1CCNCC1
InChIInChI=1S/C17H17FN4O2S/c18-13-2-3-14-15(11-20-16(14)9-13)12-1-4-17(21-10-12)25(23,24)22-7-5-19-6-8-22/h1-4,9-11,19-20H,5-8H2
InChIKeyNGLVQPMFIGBUNR-UHFFFAOYSA-N
XLogP1.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
The IUPAC name of 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole (CID 91827423) is 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole.
What is the SMILES notation for 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
The canonical SMILES for 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole is O=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cn1)N1CCNCC1.
What is the InChIKey of 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
The InChIKey is NGLVQPMFIGBUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-13-2-3-14-15(11-20-16(14)9-13)12-1-4-17(21-10-12)25(23,24)22-7-5-19-6-8-22/h1-4,9-11,19-20H,5-8H2.
What are the key properties of 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole has a molecular weight of 360.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole is sourced from PubChem (CID 91827423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).