5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole

C19H19BrClN3O2S — CID 53322548

IUPAC5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccc(Br)cc23)CC1
InChIInChI=1S/C19H19BrClN3O2S/c1-22-7-9-23(10-8-22)19-13-24(18-6-5-14(20)11-17(18)19)27(25,26)16-4-2-3-15(21)12-16/h2-6,11-13H,7-10H2,1H3
InChIKeyKSZQAQVWGITECW-UHFFFAOYSA-N
MW468.80 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole

5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole (PubChem CID 53322548) has the molecular formula C19H19BrClN3O2S and a molecular weight of 468.80 g/mol. Its IUPAC name is 5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole.

Molecular Properties

Compound Name5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
PubChem CID53322548
Molecular FormulaC19H19BrClN3O2S
Molecular Weight468.80 g/mol
Exact Mass467.01
IUPAC Name5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccc(Br)cc23)CC1
InChIInChI=1S/C19H19BrClN3O2S/c1-22-7-9-23(10-8-22)19-13-24(18-6-5-14(20)11-17(18)19)27(25,26)16-4-2-3-15(21)12-16/h2-6,11-13H,7-10H2,1H3
InChIKeyKSZQAQVWGITECW-UHFFFAOYSA-N
XLogP4.05
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.80
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
The IUPAC name of 5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole (CID 53322548) is 5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole.
What is the SMILES notation for 5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
The canonical SMILES for 5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole is CN1CCN(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccc(Br)cc23)CC1.
What is the InChIKey of 5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
The InChIKey is KSZQAQVWGITECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O2S/c1-22-7-9-23(10-8-22)19-13-24(18-6-5-14(20)11-17(18)19)27(25,26)16-4-2-3-15(21)12-16/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole has a molecular weight of 468.80 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole is sourced from PubChem (CID 53322548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).