N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide

C18H18FN3O2S — CID 22203546

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C18H18FN3O2S/c1-13-3-8-17(11-14(13)2)25(23,24)21-18-9-10-22(20-18)12-15-4-6-16(19)7-5-15/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyZUHPRQYAZOKRQW-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.49
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 22203546) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID22203546
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C18H18FN3O2S/c1-13-3-8-17(11-14(13)2)25(23,24)21-18-9-10-22(20-18)12-15-4-6-16(19)7-5-15/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyZUHPRQYAZOKRQW-UHFFFAOYSA-N
XLogP3.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-difluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201923
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113041506
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717
N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22201934
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22204619
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22205631
2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 17376579
3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202096
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22204637
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19584261
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
CID 22205652

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide (CID 22203546) is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1C.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is ZUHPRQYAZOKRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-13-3-8-17(11-14(13)2)25(23,24)21-18-9-10-22(20-18)12-15-4-6-16(19)7-5-15/h3-11H,12H2,1-2H3,(H,20,21).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 359.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 22203546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).