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

C23H23N3O2S — CID 67085773

IUPAC4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3[nH]2)c2c3c(n(C)c12)CC1CCC3N1
InChIInChI=1S/C23H23N3O2S/c1-13-7-10-19(29(27,28)20-11-14-5-3-4-6-16(14)25-20)22-21-17-9-8-15(24-17)12-18(21)26(2)23(13)22/h3-7,10-11,15,17,24-25H,8-9,12H2,1-2H3
InChIKeyQJRIFRZCNASHNQ-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.15
Rot. Bonds2

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

4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 67085773) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID67085773
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3[nH]2)c2c3c(n(C)c12)CC1CCC3N1
InChIInChI=1S/C23H23N3O2S/c1-13-7-10-19(29(27,28)20-11-14-5-3-4-6-16(14)25-20)22-21-17-9-8-15(24-17)12-18(21)26(2)23(13)22/h3-7,10-11,15,17,24-25H,8-9,12H2,1-2H3
InChIKeyQJRIFRZCNASHNQ-UHFFFAOYSA-N
XLogP4.15
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 67085773) is 4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is Cc1ccc(S(=O)(=O)c2cc3ccccc3[nH]2)c2c3c(n(C)c12)CC1CCC3N1.
What is the InChIKey of 4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is QJRIFRZCNASHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-13-7-10-19(29(27,28)20-11-14-5-3-4-6-16(14)25-20)22-21-17-9-8-15(24-17)12-18(21)26(2)23(13)22/h3-7,10-11,15,17,24-25H,8-9,12H2,1-2H3.
What are the key properties of 4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 405.52 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-ylsulfonyl)-7,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 67085773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).