5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

C17H15ClFN3O3S — CID 2809478

IUPAC5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15ClFN3O3S/c1-11-16(17(18)22(2)20-11)26(23,24)21-13-5-9-15(10-6-13)25-14-7-3-12(19)4-8-14/h3-10,21H,1-2H3
InChIKeyHMDVYEWBRYRKRS-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.11
Rot. Bonds5

About 5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 2809478) has the molecular formula C17H15ClFN3O3S and a molecular weight of 395.84 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID2809478
Molecular FormulaC17H15ClFN3O3S
Molecular Weight395.84 g/mol
Exact Mass395.05
IUPAC Name5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15ClFN3O3S/c1-11-16(17(18)22(2)20-11)26(23,24)21-13-5-9-15(10-6-13)25-14-7-3-12(19)4-8-14/h3-10,21H,1-2H3
InChIKeyHMDVYEWBRYRKRS-UHFFFAOYSA-N
XLogP4.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[4-(4-fluorophenoxy)phenyl]-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-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-N-(4-methoxyphenyl)benzenesulfonamide
CID 1489331
N-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 1489338
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 4594181
4-(4-Chlorophenoxy)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72548857
4-(4-Chloro-2-fluorophenoxy)-1-(trimethyl-1H-pyrazole-4-sulfonyl)piperidine
CID 72549550
4-(4-Chloro-2,6-difluorophenoxy)-1-(trimethyl-1H-pyrazole-4-sulfonyl)piperidine
CID 72550222
N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858743
N-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 1489332
4-chloro-N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 4421379
4-(3-Chlorophenoxy)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72548858
4-(4-Chlorophenoxy)-1-{[1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]sulfonyl}piperidine
CID 72549103
4-(4-Chloro-3-fluorophenoxy)-1-(trimethyl-1H-pyrazole-4-sulfonyl)piperidine
CID 72550221

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 2809478) is 5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is HMDVYEWBRYRKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3S/c1-11-16(17(18)22(2)20-11)26(23,24)21-13-5-9-15(10-6-13)25-14-7-3-12(19)4-8-14/h3-10,21H,1-2H3.
What are the key properties of 5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 395.84 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 2809478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).