1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide

C12H13BrFN3O2S — CID 81340439

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2cc(F)cc(Br)c2)c(C)c1S(N)(=O)=O
InChIInChI=1S/C12H13BrFN3O2S/c1-7-12(20(15,18)19)8(2)17(16-7)6-9-3-10(13)5-11(14)4-9/h3-5H,6H2,1-2H3,(H2,15,18,19)
InChIKeyQQBRRQXJVYIGSQ-UHFFFAOYSA-N
MW362.22 g/mol
LogP2.10
Rot. Bonds3

About 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide

1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 81340439) has the molecular formula C12H13BrFN3O2S and a molecular weight of 362.22 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID81340439
Molecular FormulaC12H13BrFN3O2S
Molecular Weight362.22 g/mol
Exact Mass360.99
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2cc(F)cc(Br)c2)c(C)c1S(N)(=O)=O
InChIInChI=1S/C12H13BrFN3O2S/c1-7-12(20(15,18)19)8(2)17(16-7)6-9-3-10(13)5-11(14)4-9/h3-5H,6H2,1-2H3,(H2,15,18,19)
InChIKeyQQBRRQXJVYIGSQ-UHFFFAOYSA-N
XLogP2.10
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide 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

1-[(3-bromo-5-fluorophenyl)methyl]-4-(1-chloropropyl)-3,5-dimethylpyrazole
CID 79709594
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 107889706
1-[1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 79709265
1-[(3-bromo-5-fluorophenyl)methyl]-2-ethylimidazole-4-sulfonamide
CID 81341545
1-[(3,5-difluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 105411276
1-[(3-bromo-5-fluorophenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 79708610
1-[2-(4-bromophenoxy)ethyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 81336689
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-fluoroaniline
CID 112646319
4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
CID 22205529
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazole
CID 79702175
5-amino-1-[(3-bromo-5-fluorophenyl)methyl]-4-methylpyridin-2-one
CID 79710365
3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide
CID 115519864

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide (CID 81340439) is 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide is Cc1nn(Cc2cc(F)cc(Br)c2)c(C)c1S(N)(=O)=O.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is QQBRRQXJVYIGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O2S/c1-7-12(20(15,18)19)8(2)17(16-7)6-9-3-10(13)5-11(14)4-9/h3-5H,6H2,1-2H3,(H2,15,18,19).
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 362.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 81340439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).