5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene

C68H68Cl4N16O8S4 — CID 157411909

IUPAC5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
SMILESCc1nc2c(S(=O)(=O)c3cccc(Cl)c3)c(C)nn2c2c1CN(C)CC2.Cc1nc2c(S(=O)(=O)c3cccc(Cl)c3)c(C)nn2c2c1CNCC2.Cc1nn2c3c(cnc2c1S(=O)(=O)c1cccc(Cl)c1)CN(C)CC3.Cc1nn2c3c(cnc2c1S(=O)(=O)c1cccc(Cl)c1)CNCC3
InChIInChI=1S/C18H19ClN4O2S.2C17H17ClN4O2S.C16H15ClN4O2S/c1-11-15-10-22(3)8-7-16(15)23-18(20-11)17(12(2)21-23)26(24,25)14-6-4-5-13(19)9-14;1-11-16(25(23,24)14-5-3-4-13(18)8-14)17-19-9-12-10-21(2)7-6-15(12)22(17)20-11;1-10-14-9-19-7-6-15(14)22-17(20-10)16(11(2)21-22)25(23,24)13-5-3-4-12(18)8-13;1-10-15(24(22,23)13-4-2-3-12(17)7-13)16-19-9-11-8-18-6-5-14(11)21(16)20-10/h4-6,9H,7-8,10H2,1-3H3;3-5,8-9H,6-7,10H2,1-2H3;3-5,8,19H,6-7,9H2,1-2H3;2-4,7,9,18H,5-6,8H2,1H3
InChIKeyBOJQTHHOKREOCY-UHFFFAOYSA-N
MW1507.48 g/mol
LogP9.98
Rot. Bonds8

About 5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene

5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene (PubChem CID 157411909) has the molecular formula C68H68Cl4N16O8S4 and a molecular weight of 1507.48 g/mol. Its IUPAC name is 5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
PubChem CID157411909
Molecular FormulaC68H68Cl4N16O8S4
Molecular Weight1507.48 g/mol
Exact Mass1504.30
IUPAC Name5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
SMILESCc1nc2c(S(=O)(=O)c3cccc(Cl)c3)c(C)nn2c2c1CN(C)CC2.Cc1nc2c(S(=O)(=O)c3cccc(Cl)c3)c(C)nn2c2c1CNCC2.Cc1nn2c3c(cnc2c1S(=O)(=O)c1cccc(Cl)c1)CN(C)CC3.Cc1nn2c3c(cnc2c1S(=O)(=O)c1cccc(Cl)c1)CNCC3
InChIInChI=1S/C18H19ClN4O2S.2C17H17ClN4O2S.C16H15ClN4O2S/c1-11-15-10-22(3)8-7-16(15)23-18(20-11)17(12(2)21-23)26(24,25)14-6-4-5-13(19)9-14;1-11-16(25(23,24)14-5-3-4-13(18)8-14)17-19-9-12-10-21(2)7-6-15(12)22(17)20-11;1-10-14-9-19-7-6-15(14)22-17(20-10)16(11(2)21-22)25(23,24)13-5-3-4-12(18)8-13;1-10-15(24(22,23)13-4-2-3-12(17)7-13)16-19-9-11-8-18-6-5-14(11)21(16)20-10/h4-6,9H,7-8,10H2,1-3H3;3-5,8-9H,6-7,10H2,1-2H3;3-5,8,19H,6-7,9H2,1-2H3;2-4,7,9,18H,5-6,8H2,1H3
InChIKeyBOJQTHHOKREOCY-UHFFFAOYSA-N
XLogP9.98
TPSA287.86 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001507.48
LogP ≤ 59.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene?
The IUPAC name of 5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene (CID 157411909) is 5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene.
What is the SMILES notation for 5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene?
The canonical SMILES for 5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene is Cc1nc2c(S(=O)(=O)c3cccc(Cl)c3)c(C)nn2c2c1CN(C)CC2.Cc1nc2c(S(=O)(=O)c3cccc(Cl)c3)c(C)nn2c2c1CNCC2.Cc1nn2c3c(cnc2c1S(=O)(=O)c1cccc(Cl)c1)CN(C)CC3.Cc1nn2c3c(cnc2c1S(=O)(=O)c1cccc(Cl)c1)CNCC3.
What is the InChIKey of 5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene?
The InChIKey is BOJQTHHOKREOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S.2C17H17ClN4O2S.C16H15ClN4O2S/c1-11-15-10-22(3)8-7-16(15)23-18(20-11)17(12(2)21-23)26(24,25)14-6-4-5-13(19)9-14;1-11-16(25(23,24)14-5-3-4-13(18)8-14)17-19-9-12-10-21(2)7-6-15(12)22(17)20-11;1-10-14-9-19-7-6-15(14)22-17(20-10)16(11(2)21-22)25(23,24)13-5-3-4-12(18)8-13;1-10-15(24(22,23)13-4-2-3-12(17)7-13)16-19-9-11-8-18-6-5-14(11)21(16)20-10/h4-6,9H,7-8,10H2,1-3H3;3-5,8-9H,6-7,10H2,1-2H3;3-5,8,19H,6-7,9H2,1-2H3;2-4,7,9,18H,5-6,8H2,1H3.
What are the key properties of 5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene?
5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene has a molecular weight of 1507.48 g/mol, XLogP of 9.98, 8 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)sulfonyl-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene is sourced from PubChem (CID 157411909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).