(4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine

C22H20Cl2N2O2S — CID 142664123

IUPAC(4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine
SMILESCN1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N2O2S/c1-25-15-21(16-5-3-2-4-6-16)22(17-7-9-18(23)10-8-17)26(25)29(27,28)20-13-11-19(24)12-14-20/h2-14,21-22H,15H2,1H3/t21-,22?/m1/s1
InChIKeyXQNSQZYGGOXXEK-ZMFCMNQTSA-N
MW447.39 g/mol
LogP5.37
Rot. Bonds4

About (4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine

(4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine (PubChem CID 142664123) has the molecular formula C22H20Cl2N2O2S and a molecular weight of 447.39 g/mol. Its IUPAC name is (4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine.

Molecular Properties

Compound Name(4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine
PubChem CID142664123
Molecular FormulaC22H20Cl2N2O2S
Molecular Weight447.39 g/mol
Exact Mass446.06
IUPAC Name(4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine
SMILESCN1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N2O2S/c1-25-15-21(16-5-3-2-4-6-16)22(17-7-9-18(23)10-8-17)26(25)29(27,28)20-13-11-19(24)12-14-20/h2-14,21-22H,15H2,1H3/t21-,22?/m1/s1
InChIKeyXQNSQZYGGOXXEK-ZMFCMNQTSA-N
XLogP5.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methylpyrazolidin-4-yl]pyridine
CID 142656992
5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide
CID 142666651
5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide
CID 142666617
3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one
CID 15994572
3-(4-chlorophenyl)-4-(3-fluorophenyl)-1-methoxy-2-[4-(trifluoromethyl)phenyl]sulfonylpyrazolidine
CID 142666594
3-(4-chlorophenyl)-4-(2-fluorophenyl)-1-methoxy-2-[4-(trifluoromethyl)phenyl]sulfonylpyrazolidine
CID 142666592
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
5-(5-chlorothiophen-2-yl)-N,N-diethyl-2-methyl-4-phenylpyrazolidine-1-sulfonamide
CID 142666629
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine
CID 154870443
4-(4-chlorophenyl)sulfonyl-7-phenyl-1,4-thiazepane
CID 90629597
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine?
The IUPAC name of (4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine (CID 142664123) is (4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine.
What is the SMILES notation for (4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine?
The canonical SMILES for (4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine is CN1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine?
The InChIKey is XQNSQZYGGOXXEK-ZMFCMNQTSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2S/c1-25-15-21(16-5-3-2-4-6-16)22(17-7-9-18(23)10-8-17)26(25)29(27,28)20-13-11-19(24)12-14-20/h2-14,21-22H,15H2,1H3/t21-,22?/m1/s1.
What are the key properties of (4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine?
(4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine has a molecular weight of 447.39 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine is sourced from PubChem (CID 142664123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).