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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Related Compounds

9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole
CID 14594824
2-[10-(benzenesulfonyl)-4-chloro-4-methylazepino[2,3-b]indol-7-yl]ethanamine;ethane
CID 143951032
6-ethylpyrido[2,3-b]indol-9-amine
CID 91225284
2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine
CID 175749757
[4-amino-8-(benzenesulfonyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl] trifluoromethanesulfonate
CID 89120761
1-(benzenesulfonyl)-2-iodo-4-methylpyrrolo[2,3-b]pyridine
CID 74888568
2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 22663035
[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]boronic acid
CID 57416458
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol
CID 138491902
9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole
CID 46186693
2-[3-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]phenyl]ethanol
CID 68998083

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).