1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole

C23H29N3O3S — CID 45110728

IUPAC1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole
SMILESCC(C)Oc1ccc2c(ccn2S(=O)(=O)c2cccc(CN3CCN(C)CC3)c2)c1
InChIInChI=1S/C23H29N3O3S/c1-18(2)29-21-7-8-23-20(16-21)9-10-26(23)30(27,28)22-6-4-5-19(15-22)17-25-13-11-24(3)12-14-25/h4-10,15-16,18H,11-14,17H2,1-3H3
InChIKeyFFKZYUAAUFGCCK-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.41
Rot. Bonds6

About 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole

1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole (PubChem CID 45110728) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole.

Molecular Properties

Compound Name1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole
PubChem CID45110728
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole
SMILESCC(C)Oc1ccc2c(ccn2S(=O)(=O)c2cccc(CN3CCN(C)CC3)c2)c1
InChIInChI=1S/C23H29N3O3S/c1-18(2)29-21-7-8-23-20(16-21)9-10-26(23)30(27,28)22-6-4-5-19(15-22)17-25-13-11-24(3)12-14-25/h4-10,15-16,18H,11-14,17H2,1-3H3
InChIKeyFFKZYUAAUFGCCK-UHFFFAOYSA-N
XLogP3.41
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Masupirdine
CID 10073773
Ass234
CID 53378764
N-Methyl-5-benzyloxyindole
CID 259196
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 681823
5-methoxy-1-(phenylsulfonyl)-1H-indole
CID 6473679
MS-245
CID 6918542
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 9800737
1-(2-Bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
CID 11190845
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 56663077
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonyl-5-methoxyindole
CID 56666540
1-(Benzenesulfonyl)-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
CID 56666541

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole?
The IUPAC name of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole (CID 45110728) is 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole.
What is the SMILES notation for 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole?
The canonical SMILES for 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole is CC(C)Oc1ccc2c(ccn2S(=O)(=O)c2cccc(CN3CCN(C)CC3)c2)c1.
What is the InChIKey of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole?
The InChIKey is FFKZYUAAUFGCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-18(2)29-21-7-8-23-20(16-21)9-10-26(23)30(27,28)22-6-4-5-19(15-22)17-25-13-11-24(3)12-14-25/h4-10,15-16,18H,11-14,17H2,1-3H3.
What are the key properties of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole?
1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole has a molecular weight of 427.57 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-propan-2-yloxyindole is sourced from PubChem (CID 45110728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).