1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole

C19H17BrF3N3O2S — CID 118654349

IUPAC1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole
SMILESO=S(=O)(c1ccccc1Br)n1cc(C(F)(F)F)c2c(N3CCNCC3)cccc21
InChIInChI=1S/C19H17BrF3N3O2S/c20-14-4-1-2-7-17(14)29(27,28)26-12-13(19(21,22)23)18-15(5-3-6-16(18)26)25-10-8-24-9-11-25/h1-7,12,24H,8-11H2
InChIKeyNGPCEWMPONBFCL-UHFFFAOYSA-N
MW488.33 g/mol
LogP4.07
Rot. Bonds3

About 1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole

1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole (PubChem CID 118654349) has the molecular formula C19H17BrF3N3O2S and a molecular weight of 488.33 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole
PubChem CID118654349
Molecular FormulaC19H17BrF3N3O2S
Molecular Weight488.33 g/mol
Exact Mass487.02
IUPAC Name1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole
SMILESO=S(=O)(c1ccccc1Br)n1cc(C(F)(F)F)c2c(N3CCNCC3)cccc21
InChIInChI=1S/C19H17BrF3N3O2S/c20-14-4-1-2-7-17(14)29(27,28)26-12-13(19(21,22)23)18-15(5-3-6-16(18)26)25-10-8-24-9-11-25/h1-7,12,24H,8-11H2
InChIKeyNGPCEWMPONBFCL-UHFFFAOYSA-N
XLogP4.07
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole (CID 118654349) is 1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole is O=S(=O)(c1ccccc1Br)n1cc(C(F)(F)F)c2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole?
The InChIKey is NGPCEWMPONBFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF3N3O2S/c20-14-4-1-2-7-17(14)29(27,28)26-12-13(19(21,22)23)18-15(5-3-6-16(18)26)25-10-8-24-9-11-25/h1-7,12,24H,8-11H2.
What are the key properties of 1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole?
1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole has a molecular weight of 488.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-4-piperazin-1-yl-3-(trifluoromethyl)indole is sourced from PubChem (CID 118654349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).