4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide

C18H17BrFN3O2S — CID 22205529

IUPAC4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrFN3O2S/c1-12-18(22-26(24,25)17-8-6-15(19)7-9-17)13(2)23(21-12)11-14-4-3-5-16(20)10-14/h3-10,22H,11H2,1-2H3
InChIKeyGUWFCCBUPLBTMH-UHFFFAOYSA-N
MW438.32 g/mol
LogP4.25
Rot. Bonds5

About 4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide

4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide (PubChem CID 22205529) has the molecular formula C18H17BrFN3O2S and a molecular weight of 438.32 g/mol. Its IUPAC name is 4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
PubChem CID22205529
Molecular FormulaC18H17BrFN3O2S
Molecular Weight438.32 g/mol
Exact Mass437.02
IUPAC Name4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrFN3O2S/c1-12-18(22-26(24,25)17-8-6-15(19)7-9-17)13(2)23(21-12)11-14-4-3-5-16(20)10-14/h3-10,22H,11H2,1-2H3
InChIKeyGUWFCCBUPLBTMH-UHFFFAOYSA-N
XLogP4.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-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

Related Compounds

N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22205539
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide
CID 22205673
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide
CID 22205547
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22205571
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propylbenzenesulfonamide
CID 22202905
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202918
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylbenzenesulfonamide
CID 39734380
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22206327
2-chloro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19405940
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22206332
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19404233

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide (CID 22205529) is 4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide is Cc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
The InChIKey is GUWFCCBUPLBTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O2S/c1-12-18(22-26(24,25)17-8-6-15(19)7-9-17)13(2)23(21-12)11-14-4-3-5-16(20)10-14/h3-10,22H,11H2,1-2H3.
What are the key properties of 4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide has a molecular weight of 438.32 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22205529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).