4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide

C14H14BrClFN3O3S — CID 19931935

IUPAC4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(Br)c(S(=O)(=O)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H14BrClFN3O3S/c1-3-19(4-2)14(21)20-8-10(15)13(18-20)24(22,23)9-5-6-12(17)11(16)7-9/h5-8H,3-4H2,1-2H3
InChIKeySDCVZLSZDSKKGF-UHFFFAOYSA-N
MW438.71 g/mol
LogP3.58
Rot. Bonds4

About 4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide

4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide (PubChem CID 19931935) has the molecular formula C14H14BrClFN3O3S and a molecular weight of 438.71 g/mol. Its IUPAC name is 4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
PubChem CID19931935
Molecular FormulaC14H14BrClFN3O3S
Molecular Weight438.71 g/mol
Exact Mass436.96
IUPAC Name4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(Br)c(S(=O)(=O)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H14BrClFN3O3S/c1-3-19(4-2)14(21)20-8-10(15)13(18-20)24(22,23)9-5-6-12(17)11(16)7-9/h5-8H,3-4H2,1-2H3
InChIKeySDCVZLSZDSKKGF-UHFFFAOYSA-N
XLogP3.58
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide 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

4-bromo-3-(4-chloro-2-methylphenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19932291
4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19932171
4-chloro-3-(2,3-difluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19931848
3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
CID 19932214
4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
CID 19931968
N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide
CID 8505477
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
1-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 3846784
3-(2-chloro-6-fluorophenyl)sulfanyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
CID 19932210
3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
(Z)-3-(3-chloro-4-fluorophenyl)-N,N-diethylprop-2-enamide
CID 97305606
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide?
The IUPAC name of 4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide (CID 19931935) is 4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide.
What is the SMILES notation for 4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide?
The canonical SMILES for 4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide is CCN(CC)C(=O)n1cc(Br)c(S(=O)(=O)c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide?
The InChIKey is SDCVZLSZDSKKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFN3O3S/c1-3-19(4-2)14(21)20-8-10(15)13(18-20)24(22,23)9-5-6-12(17)11(16)7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide?
4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide has a molecular weight of 438.71 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide is sourced from PubChem (CID 19931935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).