N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide

C19H17ClFN3O3S2 — CID 1191532

IUPACN-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESCc1nn(C(=O)CNS(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3O3S2/c1-12-19(28-16-7-3-14(20)4-8-16)13(2)24(23-12)18(25)11-22-29(26,27)17-9-5-15(21)6-10-17/h3-10,22H,11H2,1-2H3
InChIKeyHBKMKVLYYDHYSD-UHFFFAOYSA-N
MW453.95 g/mol
LogP4.06
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide

N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide (PubChem CID 1191532) has the molecular formula C19H17ClFN3O3S2 and a molecular weight of 453.95 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
PubChem CID1191532
Molecular FormulaC19H17ClFN3O3S2
Molecular Weight453.95 g/mol
Exact Mass453.04
IUPAC NameN-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESCc1nn(C(=O)CNS(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3O3S2/c1-12-19(28-16-7-3-14(20)4-8-16)13(2)24(23-12)18(25)11-22-29(26,27)17-9-5-15(21)6-10-17/h3-10,22H,11H2,1-2H3
InChIKeyHBKMKVLYYDHYSD-UHFFFAOYSA-N
XLogP4.06
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide 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

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 24408582
N-[2-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 3589015
N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 1540799
4-Chloro-N-(2-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-YL}-2-oxoethyl)benzene-1-sulfonamide
CID 4093626
N-(4-((4-((4-chlorophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl)phenyl)acetamide
CID 4114687
1-[1-(Benzenesulfonyl)pyrrolidine-2-carbonyl]-4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazole
CID 22331204
4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2988185
2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 3721339
N-[2-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 1280525
[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone
CID 24050953
N-(2-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-oxoethyl)benzenesulfonamide
CID 1184792
4-Chloro-N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-YL}-2-oxoethyl)benzene-1-sulfonamide
CID 1191531

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide (CID 1191532) is N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide is Cc1nn(C(=O)CNS(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The InChIKey is HBKMKVLYYDHYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3S2/c1-12-19(28-16-7-3-14(20)4-8-16)13(2)24(23-12)18(25)11-22-29(26,27)17-9-5-15(21)6-10-17/h3-10,22H,11H2,1-2H3.
What are the key properties of N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide has a molecular weight of 453.95 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 1191532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).