N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide

C24H29N3O3S — CID 11842333

IUPACN-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide
SMILESCCCC(C(=O)n1nc(C)cc1C)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H29N3O3S/c1-5-9-22(24(28)27-19(4)16-18(3)25-27)23(20-10-7-6-8-11-20)26-31(29,30)21-14-12-17(2)13-15-21/h6-8,10-16,22-23,26H,5,9H2,1-4H3
InChIKeyXVDOZMYITBYVON-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.58
Rot. Bonds8

About N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide

N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide (PubChem CID 11842333) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide
PubChem CID11842333
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide
SMILESCCCC(C(=O)n1nc(C)cc1C)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H29N3O3S/c1-5-9-22(24(28)27-19(4)16-18(3)25-27)23(20-10-7-6-8-11-20)26-31(29,30)21-14-12-17(2)13-15-21/h6-8,10-16,22-23,26H,5,9H2,1-4H3
InChIKeyXVDOZMYITBYVON-UHFFFAOYSA-N
XLogP4.58
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide 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-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide (CID 11842333) is N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide is CCCC(C(=O)n1nc(C)cc1C)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide?
The InChIKey is XVDOZMYITBYVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-5-9-22(24(28)27-19(4)16-18(3)25-27)23(20-10-7-6-8-11-20)26-31(29,30)21-14-12-17(2)13-15-21/h6-8,10-16,22-23,26H,5,9H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide?
N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide has a molecular weight of 439.58 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpentyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11842333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).