2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide

C22H22N4O3S — CID 53310542

IUPAC2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide
SMILESCn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)C(C)(C)C)cc4c(=O)c3c2)cn1
InChIInChI=1S/C22H22N4O3S/c1-22(2,3)30(28,29)25-17-7-5-14-6-8-20-19(21(27)18(14)10-17)9-15(11-23-20)16-12-24-26(4)13-16/h5-13,25H,1-4H3
InChIKeySEKSKAHLHZNVJO-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.69
Rot. Bonds3

About 2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide

2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide (PubChem CID 53310542) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide
PubChem CID53310542
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide
SMILESCn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)C(C)(C)C)cc4c(=O)c3c2)cn1
InChIInChI=1S/C22H22N4O3S/c1-22(2,3)30(28,29)25-17-7-5-14-6-8-20-19(21(27)18(14)10-17)9-15(11-23-20)16-12-24-26(4)13-16/h5-13,25H,1-4H3
InChIKeySEKSKAHLHZNVJO-UHFFFAOYSA-N
XLogP3.69
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide (CID 53310542) is 2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide is Cn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)C(C)(C)C)cc4c(=O)c3c2)cn1.
What is the InChIKey of 2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide?
The InChIKey is SEKSKAHLHZNVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-22(2,3)30(28,29)25-17-7-5-14-6-8-20-19(21(27)18(14)10-17)9-15(11-23-20)16-12-24-26(4)13-16/h5-13,25H,1-4H3.
What are the key properties of 2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide?
2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide has a molecular weight of 422.51 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]propane-2-sulfonamide is sourced from PubChem (CID 53310542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).