N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide

C17H23N3O3S — CID 2200267

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C17H23N3O3S/c1-13-7-9-16(10-8-13)24(22,23)19(4)11-5-6-17(21)20-15(3)12-14(2)18-20/h7-10,12H,5-6,11H2,1-4H3
InChIKeyOBJZSFYGUXDMGP-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.55
Rot. Bonds6

About N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide

N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 2200267) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide
PubChem CID2200267
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C17H23N3O3S/c1-13-7-9-16(10-8-13)24(22,23)19(4)11-5-6-17(21)20-15(3)12-14(2)18-20/h7-10,12H,5-6,11H2,1-4H3
InChIKeyOBJZSFYGUXDMGP-UHFFFAOYSA-N
XLogP2.55
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide 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-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide (CID 2200267) is N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCCC(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is OBJZSFYGUXDMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13-7-9-16(10-8-13)24(22,23)19(4)11-5-6-17(21)20-15(3)12-14(2)18-20/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide?
N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2200267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).