N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide

C11H11ClFN3O2S — CID 6469273

IUPACN-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C11H11ClFN3O2S/c1-2-16-7-9(6-14-16)19(17,18)15-8-3-4-11(13)10(12)5-8/h3-7,15H,2H2,1H3
InChIKeyLIABCLOYWNYNTN-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.50
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide

N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 6469273) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID6469273
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C11H11ClFN3O2S/c1-2-16-7-9(6-14-16)19(17,18)15-8-3-4-11(13)10(12)5-8/h3-7,15H,2H2,1H3
InChIKeyLIABCLOYWNYNTN-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-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-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 46392729
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144758
N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
1-(2-aminoethyl)-N-(3-chlorophenyl)pyrazole-4-sulfonamide
CID 106060399
1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19684607
1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide
CID 106078329
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 22206959

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide (CID 6469273) is N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is LIABCLOYWNYNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c1-2-16-7-9(6-14-16)19(17,18)15-8-3-4-11(13)10(12)5-8/h3-7,15H,2H2,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide?
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 303.75 g/mol, XLogP of 2.50, 4 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-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6469273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).