5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride

C13H17Cl2N3O2S — CID 22628141

IUPAC5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride
SMILESCl.Cn1c(S(=O)(=O)N2CCNCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClN3O2S.ClH/c1-16-12-3-2-11(14)8-10(12)9-13(16)20(18,19)17-6-4-15-5-7-17;/h2-3,8-9,15H,4-7H2,1H3;1H
InChIKeyUQYVHAYOWKGLLS-UHFFFAOYSA-N
MW350.27 g/mol
LogP1.85
Rot. Bonds2

About 5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride

5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride (PubChem CID 22628141) has the molecular formula C13H17Cl2N3O2S and a molecular weight of 350.27 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride.

Molecular Properties

Compound Name5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride
PubChem CID22628141
Molecular FormulaC13H17Cl2N3O2S
Molecular Weight350.27 g/mol
Exact Mass349.04
IUPAC Name5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride
SMILESCl.Cn1c(S(=O)(=O)N2CCNCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClN3O2S.ClH/c1-16-12-3-2-11(14)8-10(12)9-13(16)20(18,19)17-6-4-15-5-7-17;/h2-3,8-9,15H,4-7H2,1H3;1H
InChIKeyUQYVHAYOWKGLLS-UHFFFAOYSA-N
XLogP1.85
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride?
The IUPAC name of 5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride (CID 22628141) is 5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride.
What is the SMILES notation for 5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride?
The canonical SMILES for 5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride is Cl.Cn1c(S(=O)(=O)N2CCNCC2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride?
The InChIKey is UQYVHAYOWKGLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S.ClH/c1-16-12-3-2-11(14)8-10(12)9-13(16)20(18,19)17-6-4-15-5-7-17;/h2-3,8-9,15H,4-7H2,1H3;1H.
What are the key properties of 5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride?
5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride has a molecular weight of 350.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride is sourced from PubChem (CID 22628141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).