3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole

C18H17Cl2N3S — CID 22674225

IUPAC3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole
SMILESClc1cccc(Cl)c1Sc1c[nH]c2ccc(N3CCNCC3)cc12
InChIInChI=1S/C18H17Cl2N3S/c19-14-2-1-3-15(20)18(14)24-17-11-22-16-5-4-12(10-13(16)17)23-8-6-21-7-9-23/h1-5,10-11,21-22H,6-9H2
InChIKeyHSPVOBXDNZVDRW-UHFFFAOYSA-N
MW378.33 g/mol
LogP5.04
Rot. Bonds3

About 3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole

3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole (PubChem CID 22674225) has the molecular formula C18H17Cl2N3S and a molecular weight of 378.33 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole
PubChem CID22674225
Molecular FormulaC18H17Cl2N3S
Molecular Weight378.33 g/mol
Exact Mass377.05
IUPAC Name3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole
SMILESClc1cccc(Cl)c1Sc1c[nH]c2ccc(N3CCNCC3)cc12
InChIInChI=1S/C18H17Cl2N3S/c19-14-2-1-3-15(20)18(14)24-17-11-22-16-5-4-12(10-13(16)17)23-8-6-21-7-9-23/h1-5,10-11,21-22H,6-9H2
InChIKeyHSPVOBXDNZVDRW-UHFFFAOYSA-N
XLogP5.04
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.33
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
CID 10112216
3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
CID 10177504
3-(3-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
CID 22674244
3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
CID 69352721
5-fluoro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole
CID 11695567
7-chloro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole
CID 11595366
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
3-(4-piperazin-1-ylphenyl)sulfonyl-1H-indole
CID 10450002
(2-chloro-4-piperazin-1-ylphenyl)methanamine
CID 62945857
5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione
CID 70596470
3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
CID 166000810
N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
CID 166540128

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole?
The IUPAC name of 3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole (CID 22674225) is 3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole?
The canonical SMILES for 3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole is Clc1cccc(Cl)c1Sc1c[nH]c2ccc(N3CCNCC3)cc12.
What is the InChIKey of 3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole?
The InChIKey is HSPVOBXDNZVDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3S/c19-14-2-1-3-15(20)18(14)24-17-11-22-16-5-4-12(10-13(16)17)23-8-6-21-7-9-23/h1-5,10-11,21-22H,6-9H2.
What are the key properties of 3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole?
3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole has a molecular weight of 378.33 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)sulfanyl-5-piperazin-1-yl-1H-indole is sourced from PubChem (CID 22674225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).