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

C24H26N4O5S — CID 155511227

IUPACN-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(N4CCC(CO)CC4)nc13)C(=O)N2C
InChIInChI=1S/C24H26N4O5S/c1-27-18-8-7-17(26-34(31,32)20-6-4-3-5-19(20)33-2)23-22(18)16(24(27)30)13-21(25-23)28-11-9-15(14-29)10-12-28/h3-8,13,15,26,29H,9-12,14H2,1-2H3
InChIKeyDNXJMCYWDSETKD-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.84
Rot. Bonds6

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

N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide (PubChem CID 155511227) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide
PubChem CID155511227
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC NameN-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(N4CCC(CO)CC4)nc13)C(=O)N2C
InChIInChI=1S/C24H26N4O5S/c1-27-18-8-7-17(26-34(31,32)20-6-4-3-5-19(20)33-2)23-22(18)16(24(27)30)13-21(25-23)28-11-9-15(14-29)10-12-28/h3-8,13,15,26,29H,9-12,14H2,1-2H3
InChIKeyDNXJMCYWDSETKD-UHFFFAOYSA-N
XLogP2.84
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide 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 N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide (CID 155511227) is N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(N4CCC(CO)CC4)nc13)C(=O)N2C.
What is the InChIKey of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide?
The InChIKey is DNXJMCYWDSETKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-27-18-8-7-17(26-34(31,32)20-6-4-3-5-19(20)33-2)23-22(18)16(24(27)30)13-21(25-23)28-11-9-15(14-29)10-12-28/h3-8,13,15,26,29H,9-12,14H2,1-2H3.
What are the key properties of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide?
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide has a molecular weight of 482.56 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 155511227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).