3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide

C18H15N3O2S — CID 67511321

IUPAC3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide
SMILESCn1c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2c2ccncc21
InChIInChI=1S/C18H15N3O2S/c1-21-17-6-5-13(10-16(17)15-7-8-20-11-18(15)21)12-3-2-4-14(9-12)24(19,22)23/h2-11H,1H3,(H2,19,22,23)
InChIKeyUVZONPIQMNROSQ-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.04
Rot. Bonds2

About 3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide

3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide (PubChem CID 67511321) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide
PubChem CID67511321
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide
SMILESCn1c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2c2ccncc21
InChIInChI=1S/C18H15N3O2S/c1-21-17-6-5-13(10-16(17)15-7-8-20-11-18(15)21)12-3-2-4-14(9-12)24(19,22)23/h2-11H,1H3,(H2,19,22,23)
InChIKeyUVZONPIQMNROSQ-UHFFFAOYSA-N
XLogP3.04
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide?
The IUPAC name of 3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide (CID 67511321) is 3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide?
The canonical SMILES for 3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide is Cn1c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2c2ccncc21.
What is the InChIKey of 3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide?
The InChIKey is UVZONPIQMNROSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-21-17-6-5-13(10-16(17)15-7-8-20-11-18(15)21)12-3-2-4-14(9-12)24(19,22)23/h2-11H,1H3,(H2,19,22,23).
What are the key properties of 3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide?
3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide is sourced from PubChem (CID 67511321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).