5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole

C20H17FN2O2S — CID 141177266

IUPAC5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole
SMILESCCS(=O)(=O)c1cccc(-c2cc(F)cc3[nH]c4ncc(C)cc4c23)c1
InChIInChI=1S/C20H17FN2O2S/c1-3-26(24,25)15-6-4-5-13(8-15)16-9-14(21)10-18-19(16)17-7-12(2)11-22-20(17)23-18/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyQVOMQXDDPNLQHL-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.62
Rot. Bonds3

About 5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole

5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole (PubChem CID 141177266) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole
PubChem CID141177266
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole
SMILESCCS(=O)(=O)c1cccc(-c2cc(F)cc3[nH]c4ncc(C)cc4c23)c1
InChIInChI=1S/C20H17FN2O2S/c1-3-26(24,25)15-6-4-5-13(8-15)16-9-14(21)10-18-19(16)17-7-12(2)11-22-20(17)23-18/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyQVOMQXDDPNLQHL-UHFFFAOYSA-N
XLogP4.62
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole (CID 141177266) is 5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole is CCS(=O)(=O)c1cccc(-c2cc(F)cc3[nH]c4ncc(C)cc4c23)c1.
What is the InChIKey of 5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole?
The InChIKey is QVOMQXDDPNLQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-3-26(24,25)15-6-4-5-13(8-15)16-9-14(21)10-18-19(16)17-7-12(2)11-22-20(17)23-18/h4-11H,3H2,1-2H3,(H,22,23).
What are the key properties of 5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole?
5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole has a molecular weight of 368.43 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfonylphenyl)-7-fluoro-3-methyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 141177266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).