2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide

C18H15N3O4S — CID 155513363

IUPAC2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(ccnc13)C(=O)N2C
InChIInChI=1S/C18H15N3O4S/c1-21-13-8-7-12(17-16(13)11(18(21)22)9-10-19-17)20-26(23,24)15-6-4-3-5-14(15)25-2/h3-10,20H,1-2H3
InChIKeyJRXOGGRRYJHKKK-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.63
Rot. Bonds4

About 2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide

2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide (PubChem CID 155513363) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide
PubChem CID155513363
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(ccnc13)C(=O)N2C
InChIInChI=1S/C18H15N3O4S/c1-21-13-8-7-12(17-16(13)11(18(21)22)9-10-19-17)20-26(23,24)15-6-4-3-5-14(15)25-2/h3-10,20H,1-2H3
InChIKeyJRXOGGRRYJHKKK-UHFFFAOYSA-N
XLogP2.63
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide (CID 155513363) is 2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c3c(ccnc13)C(=O)N2C.
What is the InChIKey of 2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide?
The InChIKey is JRXOGGRRYJHKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-21-13-8-7-12(17-16(13)11(18(21)22)9-10-19-17)20-26(23,24)15-6-4-3-5-14(15)25-2/h3-10,20H,1-2H3.
What are the key properties of 2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide?
2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide has a molecular weight of 369.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide is sourced from PubChem (CID 155513363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).