5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C23H23N3O3S — CID 58258781

IUPAC5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCOc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)CC1CCC3N1
InChIInChI=1S/C23H23N3O3S/c1-26-20-10-14-3-5-19(25-14)22(20)17-11-16(12-21(29-2)23(17)26)30(27,28)15-4-6-18-13(9-15)7-8-24-18/h4,6-9,11-12,14,19,24-25H,3,5,10H2,1-2H3
InChIKeyOOGGORAJSDBXIE-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.85
Rot. Bonds3

About 5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 58258781) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID58258781
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCOc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)CC1CCC3N1
InChIInChI=1S/C23H23N3O3S/c1-26-20-10-14-3-5-19(25-14)22(20)17-11-16(12-21(29-2)23(17)26)30(27,28)15-4-6-18-13(9-15)7-8-24-18/h4,6-9,11-12,14,19,24-25H,3,5,10H2,1-2H3
InChIKeyOOGGORAJSDBXIE-UHFFFAOYSA-N
XLogP3.85
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene with MolForge

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Related Compounds

5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraene
CID 123138953
5-(benzenesulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 58258836
7-methoxy-9-methyl-5-(3-methylindol-1-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 58258821
9-methyl-5-[[7-(trifluoromethyl)-1H-indol-5-yl]sulfonyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;hydrochloride
CID 72836993
N-cyclopentyl-3-[(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)sulfonyl]aniline;hydrochloride
CID 67085076
5-(3-fluorophenyl)sulfonyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 52913102
9-methyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;hydrochloride
CID 67085227
5-(benzenesulfonyl)-9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraene;hydrochloride
CID 67173175
2-[5-(1H-indol-5-ylsulfonyl)-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl]ethanol;hydrochloride
CID 72837008
9-methyl-5-pyrrol-1-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 57392615
9-methyl-5-pyridin-2-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;hydrochloride
CID 67085265
tert-butyl 5-(4-methoxyphenyl)sulfonyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-4-carboxylate
CID 67085572

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 58258781) is 5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.
What is the SMILES notation for 5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)CC1CCC3N1.
What is the InChIKey of 5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is OOGGORAJSDBXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-26-20-10-14-3-5-19(25-14)22(20)17-11-16(12-21(29-2)23(17)26)30(27,28)15-4-6-18-13(9-15)7-8-24-18/h4,6-9,11-12,14,19,24-25H,3,5,10H2,1-2H3.
What are the key properties of 5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 421.52 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-ylsulfonyl)-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 58258781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).