N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C18H18N2O4S — CID 7161284

IUPACN-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C18H18N2O4S/c1-24-16-7-3-2-6-15(16)19-25(22,23)14-9-12-5-4-8-20-17(21)11-13(10-14)18(12)20/h2-3,6-7,9-10,19H,4-5,8,11H2,1H3
InChIKeySQSIOPRIGNLRRC-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.33
Rot. Bonds4

About N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7161284) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID7161284
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C18H18N2O4S/c1-24-16-7-3-2-6-15(16)19-25(22,23)14-9-12-5-4-8-20-17(21)11-13(10-14)18(12)20/h2-3,6-7,9-10,19H,4-5,8,11H2,1H3
InChIKeySQSIOPRIGNLRRC-UHFFFAOYSA-N
XLogP2.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2463208
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CID 7161333
CID 3239722
CID 3239722
CID 18125907
CID 18125907
CID 1124158
CID 1124158
CID 654406
CID 654406
CID 1311120
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CID 1523405
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CID 3241425
CID 3241425

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7161284) is N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is COc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2.
What is the InChIKey of N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is SQSIOPRIGNLRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-24-16-7-3-2-6-15(16)19-25(22,23)14-9-12-5-4-8-20-17(21)11-13(10-14)18(12)20/h2-3,6-7,9-10,19H,4-5,8,11H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7161284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).