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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 11190597
1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208399
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
5-chloro-1-(4-propan-2-ylphenyl)sulfonylindole-3-carbaldehyde
CID 87726153
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295
2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid
CID 11338250
1-[(4-chlorophenyl)methyl]-2-methyl-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]indole
CID 20932639
1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine
CID 153025858
1-[2-[(R)-(3,4-difluorophenyl)-phenylmethoxy]ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 92772362
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chloro-4-fluorophenyl)sulfonylpiperazine
CID 78833769
3-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 30142306

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).