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

C26H35N3O3S — CID 11190597

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCC(C)Oc1ccc2c(c1)cc(CN1CCN(C)CC1)n2S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C26H35N3O3S/c1-19(2)21-6-9-25(10-7-21)33(30,31)29-23(18-28-14-12-27(5)13-15-28)16-22-17-24(32-20(3)4)8-11-26(22)29/h6-11,16-17,19-20H,12-15,18H2,1-5H3
InChIKeyBDOFCGDTKKAEKO-UHFFFAOYSA-N
MW469.65 g/mol
LogP4.54
Rot. Bonds7

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

2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole (PubChem CID 11190597) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole
PubChem CID11190597
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCC(C)Oc1ccc2c(c1)cc(CN1CCN(C)CC1)n2S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C26H35N3O3S/c1-19(2)21-6-9-25(10-7-21)33(30,31)29-23(18-28-14-12-27(5)13-15-28)16-22-17-24(32-20(3)4)8-11-26(22)29/h6-11,16-17,19-20H,12-15,18H2,1-5H3
InChIKeyBDOFCGDTKKAEKO-UHFFFAOYSA-N
XLogP4.54
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole
CID 10411910
3-chloro-5-methoxy-1-(4-methoxyphenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole;hydrochloride
CID 142973250
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-(2-bromophenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole
CID 11305426
2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole
CID 141293462
3-(2-hydroxy-5-propan-2-ylphenyl)-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]sulfonyl-1H-1,2,4-triazole-5-thione
CID 140521386
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295
N,N-dimethyl-2-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]ethanamine
CID 113073649
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-propan-2-yloxybenzamide
CID 4951892
1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208399
1-[(2-fluorophenyl)methyl]-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113074094
1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113073924

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole (CID 11190597) is 2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole is CC(C)Oc1ccc2c(c1)cc(CN1CCN(C)CC1)n2S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole?
The InChIKey is BDOFCGDTKKAEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-19(2)21-6-9-25(10-7-21)33(30,31)29-23(18-28-14-12-27(5)13-15-28)16-22-17-24(32-20(3)4)8-11-26(22)29/h6-11,16-17,19-20H,12-15,18H2,1-5H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole?
2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole has a molecular weight of 469.65 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole is sourced from PubChem (CID 11190597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).