N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide

C16H12BrF2N3O2S — CID 22206753

IUPACN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cn2cc(Br)cn2)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H12BrF2N3O2S/c17-12-8-20-22(10-12)9-11-2-1-3-14(6-11)21-25(23,24)16-5-4-13(18)7-15(16)19/h1-8,10,21H,9H2
InChIKeyNFEFQZILHUNQDK-UHFFFAOYSA-N
MW428.26 g/mol
LogP3.77
Rot. Bonds5

About N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide

N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide (PubChem CID 22206753) has the molecular formula C16H12BrF2N3O2S and a molecular weight of 428.26 g/mol. Its IUPAC name is N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide
PubChem CID22206753
Molecular FormulaC16H12BrF2N3O2S
Molecular Weight428.26 g/mol
Exact Mass426.98
IUPAC NameN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cn2cc(Br)cn2)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H12BrF2N3O2S/c17-12-8-20-22(10-12)9-11-2-1-3-14(6-11)21-25(23,24)16-5-4-13(18)7-15(16)19/h1-8,10,21H,9H2
InChIKeyNFEFQZILHUNQDK-UHFFFAOYSA-N
XLogP3.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide 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-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,5-dichlorobenzenesulfonamide
CID 22206752
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide
CID 22206733
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 22206741
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22207089
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772240
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22203015
2-[[3-[(4-bromopyrazol-1-yl)methyl]anilino]methylidene]propanedinitrile
CID 168543532
1-[3-[(4-bromopyrazol-1-yl)methyl]anilino]-3-chloropropan-2-ol
CID 168638839
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,4-difluorobenzenesulfonamide
CID 22206582
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 17022795

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide (CID 22206753) is N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1cccc(Cn2cc(Br)cn2)c1)c1ccc(F)cc1F.
What is the InChIKey of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is NFEFQZILHUNQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N3O2S/c17-12-8-20-22(10-12)9-11-2-1-3-14(6-11)21-25(23,24)16-5-4-13(18)7-15(16)19/h1-8,10,21H,9H2.
What are the key properties of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide?
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 428.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 22206753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).