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

C24H17ClN2O3S — CID 46186691

IUPAC9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole
SMILESCOc1ccc(-c2ccc3c(c2)c2ccc(Cl)nc2n3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H17ClN2O3S/c1-30-18-10-7-16(8-11-18)17-9-13-22-21(15-17)20-12-14-23(25)26-24(20)27(22)31(28,29)19-5-3-2-4-6-19/h2-15H,1H3
InChIKeyNPBBOXXRTXJYJV-UHFFFAOYSA-N
MW448.93 g/mol
LogP5.76
Rot. Bonds4

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

9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole (PubChem CID 46186691) has the molecular formula C24H17ClN2O3S and a molecular weight of 448.93 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole
PubChem CID46186691
Molecular FormulaC24H17ClN2O3S
Molecular Weight448.93 g/mol
Exact Mass448.06
IUPAC Name9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole
SMILESCOc1ccc(-c2ccc3c(c2)c2ccc(Cl)nc2n3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H17ClN2O3S/c1-30-18-10-7-16(8-11-18)17-9-13-22-21(15-17)20-12-14-23(25)26-24(20)27(22)31(28,29)19-5-3-2-4-6-19/h2-15H,1H3
InChIKeyNPBBOXXRTXJYJV-UHFFFAOYSA-N
XLogP5.76
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.93
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole?
The IUPAC name of 9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole (CID 46186691) is 9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole is COc1ccc(-c2ccc3c(c2)c2ccc(Cl)nc2n3S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole?
The InChIKey is NPBBOXXRTXJYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3S/c1-30-18-10-7-16(8-11-18)17-9-13-22-21(15-17)20-12-14-23(25)26-24(20)27(22)31(28,29)19-5-3-2-4-6-19/h2-15H,1H3.
What are the key properties of 9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole?
9-(benzenesulfonyl)-2-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole has a molecular weight of 448.93 g/mol, XLogP of 5.76, 4 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-(4-methoxyphenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 46186691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).