5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C22H23ClN2O3S — CID 58258817

IUPAC5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCOc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)CC1CCC3N1C
InChIInChI=1S/C22H23ClN2O3S/c1-24-14-7-8-18(24)21-17-11-16(29(26,27)15-6-4-5-13(23)9-15)12-20(28-3)22(17)25(2)19(21)10-14/h4-6,9,11-12,14,18H,7-8,10H2,1-3H3
InChIKeyUVRQUFZUTAJRPH-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.36
Rot. Bonds3

About 5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 58258817) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is 5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID58258817
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC Name5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCOc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)CC1CCC3N1C
InChIInChI=1S/C22H23ClN2O3S/c1-24-14-7-8-18(24)21-17-11-16(29(26,27)15-6-4-5-13(23)9-15)12-20(28-3)22(17)25(2)19(21)10-14/h4-6,9,11-12,14,18H,7-8,10H2,1-3H3
InChIKeyUVRQUFZUTAJRPH-UHFFFAOYSA-N
XLogP4.36
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 58258817) is 5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-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-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is COc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)CC1CCC3N1C.
What is the InChIKey of 5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is UVRQUFZUTAJRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-24-14-7-8-18(24)21-17-11-16(29(26,27)15-6-4-5-13(23)9-15)12-20(28-3)22(17)25(2)19(21)10-14/h4-6,9,11-12,14,18H,7-8,10H2,1-3H3.
What are the key properties of 5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 430.96 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)sulfonyl-7-methoxy-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 58258817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).