19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide

C18H11NO2S — CID 71277223

IUPAC19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide
SMILESO=S1(=O)c2ccccc2-c2cccc3c4ccccc4n1c23
InChIInChI=1S/C18H11NO2S/c20-22(21)17-11-4-2-7-13(17)15-9-5-8-14-12-6-1-3-10-16(12)19(22)18(14)15/h1-11H
InChIKeyIYDAFBMCEQNAIA-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.01
Rot. Bonds

About 19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide

19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide (PubChem CID 71277223) has the molecular formula C18H11NO2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide.

Molecular Properties

Compound Name19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide
PubChem CID71277223
Molecular FormulaC18H11NO2S
Molecular Weight305.36 g/mol
Exact Mass305.05
IUPAC Name19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide
SMILESO=S1(=O)c2ccccc2-c2cccc3c4ccccc4n1c23
InChIInChI=1S/C18H11NO2S/c20-22(21)17-11-4-2-7-13(17)15-9-5-8-14-12-6-1-3-10-16(12)19(22)18(14)15/h1-11H
InChIKeyIYDAFBMCEQNAIA-UHFFFAOYSA-N
XLogP4.01
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide with MolForge

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Related Compounds

10-bromo-19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide
CID 71277224
19,19-diphenyl-19λ4-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene
CID 138501848
13-bromo-4-oxa-18λ6-thia-1-azapentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-2,5,7(19),8,10,12(17),13,15-octaene 18,18-dioxide
CID 125477893
3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide
CID 126632614
6,24-diphenyl-14λ6-thia-2,15-diazaheptacyclo[13.10.1.12,9.03,8.016,21.022,26.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,16,18,20,22(26),23-dodecaene 14,14-dioxide
CID 71202858
CID 176917271
CID 176917271
3-carbazol-9-yldibenzothiophene 5,5-dioxide
CID 135131341
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
methyl 14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene-11-carboxylate
CID 121386131
1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine
CID 11726538
9-ethyl-1-pyrimidin-2-ylcarbazole
CID 91102631

Frequently Asked Questions

What is the IUPAC name of 19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide?
The IUPAC name of 19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide (CID 71277223) is 19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide.
What is the SMILES notation for 19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide?
The canonical SMILES for 19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide is O=S1(=O)c2ccccc2-c2cccc3c4ccccc4n1c23.
What is the InChIKey of 19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide?
The InChIKey is IYDAFBMCEQNAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2S/c20-22(21)17-11-4-2-7-13(17)15-9-5-8-14-12-6-1-3-10-16(12)19(22)18(14)15/h1-11H.
What are the key properties of 19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide?
19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide has a molecular weight of 305.36 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide is sourced from PubChem (CID 71277223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).