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

C17H16FN3O3S — CID 16676255

IUPACN-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O3S/c1-12-17(11-21(2)19-12)25(22,23)20-14-5-9-16(10-6-14)24-15-7-3-13(18)4-8-15/h3-11,20H,1-2H3
InChIKeyDMCCALBLDRAPBP-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.46
Rot. Bonds5

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

N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 16676255) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID16676255
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC NameN-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O3S/c1-12-17(11-21(2)19-12)25(22,23)20-14-5-9-16(10-6-14)24-15-7-3-13(18)4-8-15/h3-11,20H,1-2H3
InChIKeyDMCCALBLDRAPBP-UHFFFAOYSA-N
XLogP3.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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

1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22773854
1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
CID 22774819
N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 17383073
N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345556
N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 22203398
3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282486
N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19584272
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967
2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25046641
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
N-[4-(1-adamantylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 22202889

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 16676255) is N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is DMCCALBLDRAPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-12-17(11-21(2)19-12)25(22,23)20-14-5-9-16(10-6-14)24-15-7-3-13(18)4-8-15/h3-11,20H,1-2H3.
What are the key properties of N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 361.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 16676255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).