6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole

C22H26ClN3O4S — CID 23653130

IUPAC6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole
SMILESCCN1CCN(c2cn(S(=O)(=O)c3cc(OC)ccc3OC)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C22H26ClN3O4S/c1-4-24-9-11-25(12-10-24)20-15-26(19-13-16(23)5-7-18(19)20)31(27,28)22-14-17(29-2)6-8-21(22)30-3/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyDIADRQFTBQHTTO-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.69
Rot. Bonds6

About 6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole

6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole (PubChem CID 23653130) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole.

Molecular Properties

Compound Name6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole
PubChem CID23653130
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole
SMILESCCN1CCN(c2cn(S(=O)(=O)c3cc(OC)ccc3OC)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C22H26ClN3O4S/c1-4-24-9-11-25(12-10-24)20-15-26(19-13-16(23)5-7-18(19)20)31(27,28)22-14-17(29-2)6-8-21(22)30-3/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyDIADRQFTBQHTTO-UHFFFAOYSA-N
XLogP3.69
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole 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

2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide
CID 2931238
N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 67341609
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173772
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-1H-indole
CID 118181460
7-(4-Chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
CID 66757616
5-chloro-2-methoxy-N-quinolin-3-ylbenzenesulfonamide
CID 4679684
1-(4-Methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10069527
6-Chloro-1-(4-methoxybenzenesulfonyl)-3-(4-ethylpiperazin-1-yl)-1h-indole
CID 23652863
6-chloro-3-(difluoromethyl)-1-((3-(4-isopropylpiperazin-1-yl)-4-methoxyphenyl)sulfonyl)-1H-indole
CID 118173718
6-chloro-3-(difluoromethyl)-1-((3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl)sulfonyl)-1H-indole
CID 118173765
3-(difluoromethyl)-6-chloro-1-((4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)sulfonyl)-1H-indole
CID 118181443
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide
CID 42743689

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole?
The IUPAC name of 6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole (CID 23653130) is 6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole.
What is the SMILES notation for 6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole?
The canonical SMILES for 6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole is CCN1CCN(c2cn(S(=O)(=O)c3cc(OC)ccc3OC)c3cc(Cl)ccc23)CC1.
What is the InChIKey of 6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole?
The InChIKey is DIADRQFTBQHTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-4-24-9-11-25(12-10-24)20-15-26(19-13-16(23)5-7-18(19)20)31(27,28)22-14-17(29-2)6-8-21(22)30-3/h5-8,13-15H,4,9-12H2,1-3H3.
What are the key properties of 6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole?
6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole has a molecular weight of 463.99 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-ethylpiperazin-1-yl)indole is sourced from PubChem (CID 23653130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).