N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide

C24H23N3O3S — CID 2896385

IUPACN,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide
SMILESCc1ccc(-c2nnc(OCc3ccccc3)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C24H23N3O3S/c1-17-13-14-19(15-22(17)31(28,29)27(2)3)23-20-11-7-8-12-21(20)24(26-25-23)30-16-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3
InChIKeyKNWSLEBWUXTKCC-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.43
Rot. Bonds6

About N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide

N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide (PubChem CID 2896385) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide
PubChem CID2896385
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide
SMILESCc1ccc(-c2nnc(OCc3ccccc3)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C24H23N3O3S/c1-17-13-14-19(15-22(17)31(28,29)27(2)3)23-20-11-7-8-12-21(20)24(26-25-23)30-16-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3
InChIKeyKNWSLEBWUXTKCC-UHFFFAOYSA-N
XLogP4.43
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide 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,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide?
The IUPAC name of N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide (CID 2896385) is N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide.
What is the SMILES notation for N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide?
The canonical SMILES for N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide is Cc1ccc(-c2nnc(OCc3ccccc3)c3ccccc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide?
The InChIKey is KNWSLEBWUXTKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-17-13-14-19(15-22(17)31(28,29)27(2)3)23-20-11-7-8-12-21(20)24(26-25-23)30-16-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3.
What are the key properties of N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide?
N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 2896385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).