N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide

C24H31N3O3S — CID 56663202

IUPACN-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccc(OC)cc3)n[nH]c2C)cc1
InChIInChI=1S/C24H31N3O3S/c1-4-5-6-7-19-8-14-22(15-9-19)31(28,29)25-17-16-23-18(2)26-27-24(23)20-10-12-21(30-3)13-11-20/h8-15,25H,4-7,16-17H2,1-3H3,(H,26,27)
InChIKeyASWWVLXHCVZUCZ-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.65
Rot. Bonds11

About N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide

N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 56663202) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID56663202
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccc(OC)cc3)n[nH]c2C)cc1
InChIInChI=1S/C24H31N3O3S/c1-4-5-6-7-19-8-14-22(15-9-19)31(28,29)25-17-16-23-18(2)26-27-24(23)20-10-12-21(30-3)13-11-20/h8-15,25H,4-7,16-17H2,1-3H3,(H,26,27)
InChIKeyASWWVLXHCVZUCZ-UHFFFAOYSA-N
XLogP4.65
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide 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-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide (CID 56663202) is N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccc(OC)cc3)n[nH]c2C)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is ASWWVLXHCVZUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-4-5-6-7-19-8-14-22(15-9-19)31(28,29)25-17-16-23-18(2)26-27-24(23)20-10-12-21(30-3)13-11-20/h8-15,25H,4-7,16-17H2,1-3H3,(H,26,27).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 441.60 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 56663202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).