2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine

C19H17N3O2S — CID 58514526

IUPAC2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine
SMILESNCCc1ccc2c(c1)c1cccnc1n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c20-11-10-14-8-9-18-17(13-14)16-7-4-12-21-19(16)22(18)25(23,24)15-5-2-1-3-6-15/h1-9,12-13H,10-11,20H2
InChIKeyJYGKGIQUKBQXDZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.93
Rot. Bonds4

About 2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine

2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine (PubChem CID 58514526) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine.

Molecular Properties

Compound Name2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine
PubChem CID58514526
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine
SMILESNCCc1ccc2c(c1)c1cccnc1n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c20-11-10-14-8-9-18-17(13-14)16-7-4-12-21-19(16)22(18)25(23,24)15-5-2-1-3-6-15/h1-9,12-13H,10-11,20H2
InChIKeyJYGKGIQUKBQXDZ-UHFFFAOYSA-N
XLogP2.93
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine?
The IUPAC name of 2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine (CID 58514526) is 2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine.
What is the SMILES notation for 2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine?
The canonical SMILES for 2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine is NCCc1ccc2c(c1)c1cccnc1n2S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine?
The InChIKey is JYGKGIQUKBQXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c20-11-10-14-8-9-18-17(13-14)16-7-4-12-21-19(16)22(18)25(23,24)15-5-2-1-3-6-15/h1-9,12-13H,10-11,20H2.
What are the key properties of 2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine?
2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine has a molecular weight of 351.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine is sourced from PubChem (CID 58514526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).