1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole

C19H20FN3O2S — CID 23624297

IUPAC1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
InChIKeyAKLPJZCEMGVEQJ-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole

1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole (PubChem CID 23624297) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
PubChem CID23624297
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
InChIKeyAKLPJZCEMGVEQJ-UHFFFAOYSA-N
XLogP2.77
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 23655465
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CID 10042892
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CID 10356663
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CID 11723168
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CID 14571158
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole (CID 23624297) is 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole is CN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
The InChIKey is AKLPJZCEMGVEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole has a molecular weight of 373.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole is sourced from PubChem (CID 23624297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).