1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole

C18H17Cl2N3O2S — CID 10158464

IUPAC1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H17Cl2N3O2S/c19-13-4-5-18(15(20)12-13)26(24,25)23-9-6-14-16(2-1-3-17(14)23)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2
InChIKeyQMLJCLLOEPYSER-UHFFFAOYSA-N
MW410.33 g/mol
LogP3.59
Rot. Bonds3

About 1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole

1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole (PubChem CID 10158464) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole
PubChem CID10158464
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H17Cl2N3O2S/c19-13-4-5-18(15(20)12-13)26(24,25)23-9-6-14-16(2-1-3-17(14)23)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2
InChIKeyQMLJCLLOEPYSER-UHFFFAOYSA-N
XLogP3.59
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10271920
1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
CID 10113365
1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride
CID 10183265
1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 141089036
4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
CID 22015332
1-(4-nitrophenyl)sulfonyl-4-piperazin-1-ylindole;hydrochloride
CID 10137084
1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride
CID 67156863
2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
CID 10277045
1-(4-butoxyphenyl)sulfonyl-4-piperazin-1-ylindole
CID 10161068
formic acid;1-[2-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-4-piperazin-1-ylindole
CID 68740770
1-[3-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 25118559
formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 157455881

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The IUPAC name of 1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole (CID 10158464) is 1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole.
What is the SMILES notation for 1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The canonical SMILES for 1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole is O=S(=O)(c1ccc(Cl)cc1Cl)n1ccc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The InChIKey is QMLJCLLOEPYSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c19-13-4-5-18(15(20)12-13)26(24,25)23-9-6-14-16(2-1-3-17(14)23)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2.
What are the key properties of 1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole?
1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole has a molecular weight of 410.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole is sourced from PubChem (CID 10158464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).