1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone

C18H17ClN2O3S — CID 11164782

IUPAC1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone
SMILESCC(=O)N1CCc2cc3c(cc21)N(C)S(=O)(=O)c1ccccc1C3Cl
InChIInChI=1S/C18H17ClN2O3S/c1-11(22)21-8-7-12-9-14-16(10-15(12)21)20(2)25(23,24)17-6-4-3-5-13(17)18(14)19/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyUKLIPOGCEOSAKL-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.06
Rot. Bonds

About 1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone

1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone (PubChem CID 11164782) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone
PubChem CID11164782
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone
SMILESCC(=O)N1CCc2cc3c(cc21)N(C)S(=O)(=O)c1ccccc1C3Cl
InChIInChI=1S/C18H17ClN2O3S/c1-11(22)21-8-7-12-9-14-16(10-15(12)21)20(2)25(23,24)17-6-4-3-5-13(17)18(14)19/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyUKLIPOGCEOSAKL-UHFFFAOYSA-N
XLogP3.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone with MolForge

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Related Compounds

azane;11-chloro-6-methyl-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide;6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-amine;6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
CID 159333867
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone
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1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
CID 178096572
1-[3-(1-methylpiperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-f]indol-5-yl]ethanone
CID 22462547
1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
CID 46504145
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 45086257
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone
CID 22711876
1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone
CID 132598085
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
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CID 110454978

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone?
The IUPAC name of 1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone (CID 11164782) is 1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone?
The canonical SMILES for 1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone is CC(=O)N1CCc2cc3c(cc21)N(C)S(=O)(=O)c1ccccc1C3Cl.
What is the InChIKey of 1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone?
The InChIKey is UKLIPOGCEOSAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-11(22)21-8-7-12-9-14-16(10-15(12)21)20(2)25(23,24)17-6-4-3-5-13(17)18(14)19/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of 1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone?
1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone has a molecular weight of 376.87 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-10-methyl-9,9-dioxo-9lambda6-thia-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-14-yl)ethanone is sourced from PubChem (CID 11164782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).