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

C18H10BrNO2S — CID 71277224

IUPAC10-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
SMILESO=S1(=O)c2ccccc2-c2cc(Br)cc3c4ccccc4n1c23
InChIInChI=1S/C18H10BrNO2S/c19-11-9-14-12-5-1-3-7-16(12)20-18(14)15(10-11)13-6-2-4-8-17(13)23(20,21)22/h1-10H
InChIKeyZWDILPHRBVESOY-UHFFFAOYSA-N
MW384.25 g/mol
LogP4.77
Rot. Bonds

About 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

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 (PubChem CID 71277224) has the molecular formula C18H10BrNO2S and a molecular weight of 384.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID71277224
Molecular FormulaC18H10BrNO2S
Molecular Weight384.25 g/mol
Exact Mass382.96
IUPAC Name10-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
SMILESO=S1(=O)c2ccccc2-c2cc(Br)cc3c4ccccc4n1c23
InChIInChI=1S/C18H10BrNO2S/c19-11-9-14-12-5-1-3-7-16(12)20-18(14)15(10-11)13-6-2-4-8-17(13)23(20,21)22/h1-10H
InChIKeyZWDILPHRBVESOY-UHFFFAOYSA-N
XLogP4.77
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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-bromo-9-methyl-1-phenylcarbazole
CID 163978130
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
2-bromodibenzothiophene 5,5-dioxide
CID 554821
3-carbazol-9-yldibenzothiophene 5,5-dioxide
CID 135131341
3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide
CID 126632614
1-(5,5-dioxoindolo[1,2-b][1,2]benzothiazol-11-yl)-N,N-diethylpropan-2-amine
CID 11726538
3-[5-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)dibenzothiophen-5-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 58489546
2,8-bis[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophene 5,5-dioxide
CID 121286303
2,3-dibromo-1,1-dioxothiochromen-4-one
CID 12614496
CID 147627416
CID 147627416

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=S1(=O)c2ccccc2-c2cc(Br)cc3c4ccccc4n1c23.
What is the InChIKey of 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?
The InChIKey is ZWDILPHRBVESOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrNO2S/c19-11-9-14-12-5-1-3-7-16(12)20-18(14)15(10-11)13-6-2-4-8-17(13)23(20,21)22/h1-10H.
What are the key properties of 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?
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 has a molecular weight of 384.25 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71277224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).