1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole

C22H22ClN3O3S2 — CID 22015368

IUPAC1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2sc3ccc(Cl)cc3c2C)c1N1CCNCC1
InChIInChI=1S/C22H22ClN3O3S2/c1-14-17-13-15(23)3-6-20(17)30-22(14)31(27,28)26-10-7-16-18(26)4-5-19(29-2)21(16)25-11-8-24-9-12-25/h3-7,10,13,24H,8-9,11-12H2,1-2H3
InChIKeyIUGBTPFYKIAYOJ-UHFFFAOYSA-N
MW476.02 g/mol
LogP4.47
Rot. Bonds4

About 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole

1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole (PubChem CID 22015368) has the molecular formula C22H22ClN3O3S2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole
PubChem CID22015368
Molecular FormulaC22H22ClN3O3S2
Molecular Weight476.02 g/mol
Exact Mass475.08
IUPAC Name1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2sc3ccc(Cl)cc3c2C)c1N1CCNCC1
InChIInChI=1S/C22H22ClN3O3S2/c1-14-17-13-15(23)3-6-20(17)30-22(14)31(27,28)26-10-7-16-18(26)4-5-19(29-2)21(16)25-11-8-24-9-12-25/h3-7,10,13,24H,8-9,11-12H2,1-2H3
InChIKeyIUGBTPFYKIAYOJ-UHFFFAOYSA-N
XLogP4.47
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.02
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole 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

5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride
CID 6918455
8-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine
CID 25056300
5-chloro-N-(4-methoxy-2-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide
CID 142659771
1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-7-piperazin-1-yl-3,4-dihydro-2H-quinoline
CID 18465346
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine
CID 58906119
5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
CID 23548743
1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10158464
5-chloro-2-(chloromethylsulfonyl)-3-methyl-1-benzothiophene
CID 11266391
1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-7-(4-methylpiperazin-1-yl)-2,3-dihydroquinolin-4-one
CID 53325266
1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
CID 69051523
1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10271920

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole?
The IUPAC name of 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole (CID 22015368) is 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole.
What is the SMILES notation for 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole?
The canonical SMILES for 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole is COc1ccc2c(ccn2S(=O)(=O)c2sc3ccc(Cl)cc3c2C)c1N1CCNCC1.
What is the InChIKey of 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole?
The InChIKey is IUGBTPFYKIAYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S2/c1-14-17-13-15(23)3-6-20(17)30-22(14)31(27,28)26-10-7-16-18(26)4-5-19(29-2)21(16)25-11-8-24-9-12-25/h3-7,10,13,24H,8-9,11-12H2,1-2H3.
What are the key properties of 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole?
1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole has a molecular weight of 476.02 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-5-methoxy-4-piperazin-1-ylindole is sourced from PubChem (CID 22015368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).