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

C18H17Cl2N3O2S — CID 10112216

IUPAC3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
SMILESO=S(=O)(c1cccc(Cl)c1Cl)c1c[nH]c2ccc(N3CCNCC3)cc12
InChIInChI=1S/C18H17Cl2N3O2S/c19-14-2-1-3-16(18(14)20)26(24,25)17-11-22-15-5-4-12(10-13(15)17)23-8-6-21-7-9-23/h1-5,10-11,21-22H,6-9H2
InChIKeyVNFFUYINJKNKQN-UHFFFAOYSA-N
MW410.33 g/mol
LogP3.72
Rot. Bonds3

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

3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole (PubChem CID 10112216) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
PubChem CID10112216
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
SMILESO=S(=O)(c1cccc(Cl)c1Cl)c1c[nH]c2ccc(N3CCNCC3)cc12
InChIInChI=1S/C18H17Cl2N3O2S/c19-14-2-1-3-16(18(14)20)26(24,25)17-11-22-15-5-4-12(10-13(15)17)23-8-6-21-7-9-23/h1-5,10-11,21-22H,6-9H2
InChIKeyVNFFUYINJKNKQN-UHFFFAOYSA-N
XLogP3.72
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_indol(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole?
The IUPAC name of 3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole (CID 10112216) is 3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole.
What is the SMILES notation for 3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole?
The canonical SMILES for 3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole is O=S(=O)(c1cccc(Cl)c1Cl)c1c[nH]c2ccc(N3CCNCC3)cc12.
What is the InChIKey of 3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole?
The InChIKey is VNFFUYINJKNKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c19-14-2-1-3-16(18(14)20)26(24,25)17-11-22-15-5-4-12(10-13(15)17)23-8-6-21-7-9-23/h1-5,10-11,21-22H,6-9H2.
What are the key properties of 3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole?
3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole has a molecular weight of 410.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole is sourced from PubChem (CID 10112216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).