1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole

C18H18ClN3O2S — CID 10156341

IUPAC1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H18ClN3O2S/c19-15-4-1-2-7-18(15)25(23,24)22-11-8-14-16(5-3-6-17(14)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13H2
InChIKeyDBTQINMSHFJBLR-UHFFFAOYSA-N
MW375.88 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole

1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole (PubChem CID 10156341) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
PubChem CID10156341
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H18ClN3O2S/c19-15-4-1-2-7-18(15)25(23,24)22-11-8-14-16(5-3-6-17(14)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13H2
InChIKeyDBTQINMSHFJBLR-UHFFFAOYSA-N
XLogP2.94
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole (CID 10156341) is 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole is O=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The InChIKey is DBTQINMSHFJBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-15-4-1-2-7-18(15)25(23,24)22-11-8-14-16(5-3-6-17(14)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole has a molecular weight of 375.88 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole is sourced from PubChem (CID 10156341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).