7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide

C23H14N2O2S — CID 139448171

IUPAC7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide
SMILESCc1ccc2c(ccc3c4ccc5ccccc5c4c4c(c23)=NS(=O)(=O)N=4)c1
InChIInChI=1S/C23H14N2O2S/c1-13-6-9-17-15(12-13)8-11-19-18-10-7-14-4-2-3-5-16(14)20(18)22-23(21(17)19)25-28(26,27)24-22/h2-12H,1H3
InChIKeyDDLDEAUVVCLORR-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.11
Rot. Bonds

About 7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide

7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide (PubChem CID 139448171) has the molecular formula C23H14N2O2S and a molecular weight of 382.44 g/mol. Its IUPAC name is 7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide.

Molecular Properties

Compound Name7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide
PubChem CID139448171
Molecular FormulaC23H14N2O2S
Molecular Weight382.44 g/mol
Exact Mass382.08
IUPAC Name7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide
SMILESCc1ccc2c(ccc3c4ccc5ccccc5c4c4c(c23)=NS(=O)(=O)N=4)c1
InChIInChI=1S/C23H14N2O2S/c1-13-6-9-17-15(12-13)8-11-19-18-10-7-14-4-2-3-5-16(14)20(18)22-23(21(17)19)25-28(26,27)24-22/h2-12H,1H3
InChIKeyDDLDEAUVVCLORR-UHFFFAOYSA-N
XLogP4.11
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide?
The IUPAC name of 7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide (CID 139448171) is 7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide.
What is the SMILES notation for 7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide?
The canonical SMILES for 7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide is Cc1ccc2c(ccc3c4ccc5ccccc5c4c4c(c23)=NS(=O)(=O)N=4)c1.
What is the InChIKey of 7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide?
The InChIKey is DDLDEAUVVCLORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O2S/c1-13-6-9-17-15(12-13)8-11-19-18-10-7-14-4-2-3-5-16(14)20(18)22-23(21(17)19)25-28(26,27)24-22/h2-12H,1H3.
What are the key properties of 7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide?
7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide has a molecular weight of 382.44 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide is sourced from PubChem (CID 139448171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).