11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene

C25H20FN5O2S — CID 67360870

IUPAC11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESCc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(F)cc34)cc3c4c(cnc32)cnn4C)cc1
InChIInChI=1S/C25H20FN5O2S/c1-15-4-7-18(8-5-15)34(32,33)31-23(21-14-29(2)22-9-6-17(26)10-19(21)22)11-20-24-16(12-27-25(20)31)13-28-30(24)3/h4-14H,1-3H3
InChIKeyYRKPBKIGUZMMTB-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.77
Rot. Bonds3

About 11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene

11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (PubChem CID 67360870) has the molecular formula C25H20FN5O2S and a molecular weight of 473.53 g/mol. Its IUPAC name is 11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene.

Molecular Properties

Compound Name11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
PubChem CID67360870
Molecular FormulaC25H20FN5O2S
Molecular Weight473.53 g/mol
Exact Mass473.13
IUPAC Name11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESCc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(F)cc34)cc3c4c(cnc32)cnn4C)cc1
InChIInChI=1S/C25H20FN5O2S/c1-15-4-7-18(8-5-15)34(32,33)31-23(21-14-29(2)22-9-6-17(26)10-19(21)22)11-20-24-16(12-27-25(20)31)13-28-30(24)3/h4-14H,1-3H3
InChIKeyYRKPBKIGUZMMTB-UHFFFAOYSA-N
XLogP4.77
TPSA74.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The IUPAC name of 11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (CID 67360870) is 11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene.
What is the SMILES notation for 11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The canonical SMILES for 11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene is Cc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(F)cc34)cc3c4c(cnc32)cnn4C)cc1.
What is the InChIKey of 11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The InChIKey is YRKPBKIGUZMMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2S/c1-15-4-7-18(8-5-15)34(32,33)31-23(21-14-29(2)22-9-6-17(26)10-19(21)22)11-20-24-16(12-27-25(20)31)13-28-30(24)3/h4-14H,1-3H3.
What are the key properties of 11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene has a molecular weight of 473.53 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene is sourced from PubChem (CID 67360870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).