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

C18H17ClN2O3S — CID 7287042

IUPACN-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCc3ccccc3Cl)cc3c2N1CCC3
InChIInChI=1S/C18H17ClN2O3S/c19-16-6-2-1-4-13(16)11-20-25(23,24)15-8-12-5-3-7-21-17(22)10-14(9-15)18(12)21/h1-2,4,6,8-9,20H,3,5,7,10-11H2
InChIKeyMYWLHGKWSNOBNL-UHFFFAOYSA-N
MW376.87 g/mol
LogP2.65
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7287042) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID7287042
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCc3ccccc3Cl)cc3c2N1CCC3
InChIInChI=1S/C18H17ClN2O3S/c19-16-6-2-1-4-13(16)11-20-25(23,24)15-8-12-5-3-7-21-17(22)10-14(9-15)18(12)21/h1-2,4,6,8-9,20H,3,5,7,10-11H2
InChIKeyMYWLHGKWSNOBNL-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7287042) is N-[(2-chlorophenyl)methyl]-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-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCc3ccccc3Cl)cc3c2N1CCC3.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is MYWLHGKWSNOBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c19-16-6-2-1-4-13(16)11-20-25(23,24)15-8-12-5-3-7-21-17(22)10-14(9-15)18(12)21/h1-2,4,6,8-9,20H,3,5,7,10-11H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
N-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 376.87 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7287042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).