N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide

C11H11ClFN3O2S — CID 6465744

IUPACN-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H11ClFN3O2S/c1-7-11(6-16(2)14-7)19(17,18)15-8-3-4-10(13)9(12)5-8/h3-6,15H,1-2H3
InChIKeyJJHKQUOMSZALQU-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.32
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide

N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 6465744) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID6465744
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H11ClFN3O2S/c1-7-11(6-16(2)14-7)19(17,18)15-8-3-4-10(13)9(12)5-8/h3-6,15H,1-2H3
InChIKeyJJHKQUOMSZALQU-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-1,3-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

N-(2-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1510476
N-(3-chloro-4-methylphenyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6465101
[(2-Chlorophenyl)methyl][(1-ethyl-5-methylpyrazol-4-yl)sulfonyl]amine
CID 6466638
N-(4-chloro-2-fluorophenyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6467959
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
[(1,3-Dimethylpyrazol-4-yl)sulfonyl](3-chlorophenyl)amine
CID 1508670
N-(5-chloro-2-methylphenyl)-1-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 6468093
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
N-(5-chloro-2-methylphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6470599
1-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 6465735
1-(4-chlorophenyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6465421

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 6465744) is N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is JJHKQUOMSZALQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c1-7-11(6-16(2)14-7)19(17,18)15-8-3-4-10(13)9(12)5-8/h3-6,15H,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide?
N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 303.75 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6465744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).