9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole

C26H19ClN2O3S — CID 87141046

IUPAC9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
SMILESCOc1ccc(C=Cc2ccc3c(c2)c2ccc(Cl)nc2n3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H19ClN2O3S/c1-32-20-12-9-18(10-13-20)7-8-19-11-15-24-23(17-19)22-14-16-25(27)28-26(22)29(24)33(30,31)21-5-3-2-4-6-21/h2-17H,1H3
InChIKeyFOMIIBUZODMIDH-UHFFFAOYSA-N
MW474.97 g/mol
LogP6.26
Rot. Bonds5

About 9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole

9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole (PubChem CID 87141046) has the molecular formula C26H19ClN2O3S and a molecular weight of 474.97 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
PubChem CID87141046
Molecular FormulaC26H19ClN2O3S
Molecular Weight474.97 g/mol
Exact Mass474.08
IUPAC Name9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
SMILESCOc1ccc(C=Cc2ccc3c(c2)c2ccc(Cl)nc2n3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H19ClN2O3S/c1-32-20-12-9-18(10-13-20)7-8-19-11-15-24-23(17-19)22-14-16-25(27)28-26(22)29(24)33(30,31)21-5-3-2-4-6-21/h2-17H,1H3
InChIKeyFOMIIBUZODMIDH-UHFFFAOYSA-N
XLogP6.26
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.97
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]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

9-(benzenesulfonyl)-3-chloro-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole;ethane
CID 143951058
9-(benzenesulfonyl)-2-chloro-6-[1-(3-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
CID 87141047
9-(benzenesulfonyl)-2-chloro-6-(3-nitrophenyl)pyrido[2,3-b]indole
CID 46186443
9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-pentylpyrido[2,3-b]indole
CID 66766255
9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole
CID 46186693
9-(benzenesulfonyl)-2,6-bis[1-(3-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
CID 68735872
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol
CID 10916853
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
9-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]carbazole
CID 54402774
1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine
CID 121228695
9-[4-[(E)-2-[4-[4-(benzenesulfonyl)phenyl]phenyl]ethenyl]phenyl]-3,6-dimethoxycarbazole
CID 130339144
methyl 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 118997982

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole (CID 87141046) is 9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole is COc1ccc(C=Cc2ccc3c(c2)c2ccc(Cl)nc2n3S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole?
The InChIKey is FOMIIBUZODMIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O3S/c1-32-20-12-9-18(10-13-20)7-8-19-11-15-24-23(17-19)22-14-16-25(27)28-26(22)29(24)33(30,31)21-5-3-2-4-6-21/h2-17H,1H3.
What are the key properties of 9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole?
9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole has a molecular weight of 474.97 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 87141046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).