1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole

C18H18ClN3O2S — CID 10177503

IUPAC1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)c(Cl)ccc21
InChIInChI=1S/C18H18ClN3O2S/c19-16-6-7-17-15(18(16)21-12-9-20-10-13-21)8-11-22(17)25(23,24)14-4-2-1-3-5-14/h1-8,11,20H,9-10,12-13H2
InChIKeyLNOAWMRNRLHSQE-UHFFFAOYSA-N
MW375.88 g/mol
LogP2.94
Rot. Bonds3

About 1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole

1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole (PubChem CID 10177503) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole
PubChem CID10177503
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)c(Cl)ccc21
InChIInChI=1S/C18H18ClN3O2S/c19-16-6-7-17-15(18(16)21-12-9-20-10-13-21)8-11-22(17)25(23,24)14-4-2-1-3-5-14/h1-8,11,20H,9-10,12-13H2
InChIKeyLNOAWMRNRLHSQE-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-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole?
The IUPAC name of 1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole (CID 10177503) is 1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole?
The canonical SMILES for 1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole is O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)c(Cl)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole?
The InChIKey is LNOAWMRNRLHSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-16-6-7-17-15(18(16)21-12-9-20-10-13-21)8-11-22(17)25(23,24)14-4-2-1-3-5-14/h1-8,11,20H,9-10,12-13H2.
What are the key properties of 1-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole?
1-(benzenesulfonyl)-5-chloro-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-(benzenesulfonyl)-5-chloro-4-piperazin-1-ylindole is sourced from PubChem (CID 10177503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).