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

C19H17Cl2N3O3S2 — CID 4093626

IUPAC4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCc1nn(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O3S2/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
InChIKeyQBPOGQJDQYLXKS-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.58
Rot. Bonds6

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

4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 4093626) has the molecular formula C19H17Cl2N3O3S2 and a molecular weight of 470.40 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID4093626
Molecular FormulaC19H17Cl2N3O3S2
Molecular Weight470.40 g/mol
Exact Mass469.01
IUPAC Name4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCc1nn(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O3S2/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
InChIKeyQBPOGQJDQYLXKS-UHFFFAOYSA-N
XLogP4.58
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-chlorophenyl 3,5-dimethyl-1-({1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinyl}carbonyl)-1H-pyrazol-4-yl sulfide
CID 5190637
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
N-(2-{4-[(4-Chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-YL}-2-oxoethyl)-4-fluorobenzene-1-sulfonamide
CID 1191532
4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2988185
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 4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide (CID 4093626) is 4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide is Cc1nn(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is QBPOGQJDQYLXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S2/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 4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide?
4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 470.40 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 4093626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).