9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole

C17H10BrClN2O2S — CID 46186439

IUPAC9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole
SMILESO=S(=O)(c1ccccc1)n1c2ccc(Br)cc2c2cc(Cl)cnc21
InChIInChI=1S/C17H10BrClN2O2S/c18-11-6-7-16-14(8-11)15-9-12(19)10-20-17(15)21(16)24(22,23)13-4-2-1-3-5-13/h1-10H
InChIKeyXLHYFUZABMFPLM-UHFFFAOYSA-N
MW421.70 g/mol
LogP4.84
Rot. Bonds2

About 9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole

9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole (PubChem CID 46186439) has the molecular formula C17H10BrClN2O2S and a molecular weight of 421.70 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole
PubChem CID46186439
Molecular FormulaC17H10BrClN2O2S
Molecular Weight421.70 g/mol
Exact Mass419.93
IUPAC Name9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole
SMILESO=S(=O)(c1ccccc1)n1c2ccc(Br)cc2c2cc(Cl)cnc21
InChIInChI=1S/C17H10BrClN2O2S/c18-11-6-7-16-14(8-11)15-9-12(19)10-20-17(15)21(16)24(22,23)13-4-2-1-3-5-13/h1-10H
InChIKeyXLHYFUZABMFPLM-UHFFFAOYSA-N
XLogP4.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.70
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole?
The IUPAC name of 9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole (CID 46186439) is 9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole.
What is the SMILES notation for 9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole?
The canonical SMILES for 9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole is O=S(=O)(c1ccccc1)n1c2ccc(Br)cc2c2cc(Cl)cnc21.
What is the InChIKey of 9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole?
The InChIKey is XLHYFUZABMFPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClN2O2S/c18-11-6-7-16-14(8-11)15-9-12(19)10-20-17(15)21(16)24(22,23)13-4-2-1-3-5-13/h1-10H.
What are the key properties of 9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole?
9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole has a molecular weight of 421.70 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-6-bromo-3-chloropyrido[2,3-b]indole is sourced from PubChem (CID 46186439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).