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

C23H23N3O2S — CID 58258792

IUPAC9-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
SMILESCc1cn(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c2ccccc12
InChIInChI=1S/C23H23N3O2S/c1-14-13-26(21-6-4-3-5-17(14)21)29(27,28)16-8-10-20-18(12-16)23-19-9-7-15(24-19)11-22(23)25(20)2/h3-6,8,10,12-13,15,19,24H,7,9,11H2,1-2H3
InChIKeyLZGIKPSDNVRPPX-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.03
Rot. Bonds2

About 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

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 (PubChem CID 58258792) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID58258792
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name9-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
SMILESCc1cn(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c2ccccc12
InChIInChI=1S/C23H23N3O2S/c1-14-13-26(21-6-4-3-5-17(14)21)29(27,28)16-8-10-20-18(12-16)23-19-9-7-15(24-19)11-22(23)25(20)2/h3-6,8,10,12-13,15,19,24H,7,9,11H2,1-2H3
InChIKeyLZGIKPSDNVRPPX-UHFFFAOYSA-N
XLogP4.03
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 58258792) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is LZGIKPSDNVRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-14-13-26(21-6-4-3-5-17(14)21)29(27,28)16-8-10-20-18(12-16)23-19-9-7-15(24-19)11-22(23)25(20)2/h3-6,8,10,12-13,15,19,24H,7,9,11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 405.52 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58258792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).