3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole

C19H20FN3O2S — CID 10292728

IUPAC3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole
SMILESCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccc(N3CCNCC3)c21
InChIInChI=1S/C19H20FN3O2S/c1-22-13-18(26(24,25)15-5-2-4-14(20)12-15)16-6-3-7-17(19(16)22)23-10-8-21-9-11-23/h2-7,12-13,21H,8-11H2,1H3
InChIKeyVEFHJAGRZJOQHQ-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.56
Rot. Bonds3

About 3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole

3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole (PubChem CID 10292728) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole
PubChem CID10292728
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole
SMILESCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccc(N3CCNCC3)c21
InChIInChI=1S/C19H20FN3O2S/c1-22-13-18(26(24,25)15-5-2-4-14(20)12-15)16-6-3-7-17(19(16)22)23-10-8-21-9-11-23/h2-7,12-13,21H,8-11H2,1H3
InChIKeyVEFHJAGRZJOQHQ-UHFFFAOYSA-N
XLogP2.56
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole (CID 10292728) is 3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole is Cn1cc(S(=O)(=O)c2cccc(F)c2)c2cccc(N3CCNCC3)c21.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole?
The InChIKey is VEFHJAGRZJOQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-22-13-18(26(24,25)15-5-2-4-14(20)12-15)16-6-3-7-17(19(16)22)23-10-8-21-9-11-23/h2-7,12-13,21H,8-11H2,1H3.
What are the key properties of 3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole?
3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole has a molecular weight of 373.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole is sourced from PubChem (CID 10292728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).