5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole

C24H30ClN3O2S — CID 10411910

IUPAC5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCc1c(CN2CCN(C)CC2)c2cc(Cl)ccc2n1S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H30ClN3O2S/c1-17(2)19-5-8-21(9-6-19)31(29,30)28-18(3)23(16-27-13-11-26(4)12-14-27)22-15-20(25)7-10-24(22)28/h5-10,15,17H,11-14,16H2,1-4H3
InChIKeyHXKOSUKABWNUKU-UHFFFAOYSA-N
MW460.04 g/mol
LogP4.71
Rot. Bonds5

About 5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole

5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole (PubChem CID 10411910) has the molecular formula C24H30ClN3O2S and a molecular weight of 460.04 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole
PubChem CID10411910
Molecular FormulaC24H30ClN3O2S
Molecular Weight460.04 g/mol
Exact Mass459.17
IUPAC Name5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCc1c(CN2CCN(C)CC2)c2cc(Cl)ccc2n1S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H30ClN3O2S/c1-17(2)19-5-8-21(9-6-19)31(29,30)28-18(3)23(16-27-13-11-26(4)12-14-27)22-15-20(25)7-10-24(22)28/h5-10,15,17H,11-14,16H2,1-4H3
InChIKeyHXKOSUKABWNUKU-UHFFFAOYSA-N
XLogP4.71
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.04
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole?
The IUPAC name of 5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole (CID 10411910) is 5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole.
What is the SMILES notation for 5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole?
The canonical SMILES for 5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole is Cc1c(CN2CCN(C)CC2)c2cc(Cl)ccc2n1S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole?
The InChIKey is HXKOSUKABWNUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2S/c1-17(2)19-5-8-21(9-6-19)31(29,30)28-18(3)23(16-27-13-11-26(4)12-14-27)22-15-20(25)7-10-24(22)28/h5-10,15,17H,11-14,16H2,1-4H3.
What are the key properties of 5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole?
5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole has a molecular weight of 460.04 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole is sourced from PubChem (CID 10411910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).