[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone

C22H23ClN4O3S — CID 2710663

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)n1
InChIInChI=1S/C22H23ClN4O3S/c1-16-15-17(2)27(24-16)20-7-3-18(4-8-20)22(28)25-11-13-26(14-12-25)31(29,30)21-9-5-19(23)6-10-21/h3-10,15H,11-14H2,1-2H3
InChIKeySSOVQQCRPKUDKB-UHFFFAOYSA-N
MW458.97 g/mol
LogP3.29
Rot. Bonds4

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone (PubChem CID 2710663) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
PubChem CID2710663
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)n1
InChIInChI=1S/C22H23ClN4O3S/c1-16-15-17(2)27(24-16)20-7-3-18(4-8-20)22(28)25-11-13-26(14-12-25)31(29,30)21-9-5-19(23)6-10-21/h3-10,15H,11-14H2,1-2H3
InChIKeySSOVQQCRPKUDKB-UHFFFAOYSA-N
XLogP3.29
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Smurf1-IN-A01
CID 17555704
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 150503533
4-[5-(3-Chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155514890
4-[5-(3-Chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155546386
4-[5-(4-Chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155555889
4-[5-(4-Chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155560713
4-(3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 2109137
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4227181
[4-(4-Chloro-3,5-dimethylpyrazol-1-yl)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4849978
1-[4-[4-[4-(4-Chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 4854936
[4-(4-Chloro-3,5-dimethylpyrazol-1-yl)phenyl]-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4858195
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 6892772

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone (CID 2710663) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone is Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)n1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The InChIKey is SSOVQQCRPKUDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-16-15-17(2)27(24-16)20-7-3-18(4-8-20)22(28)25-11-13-26(14-12-25)31(29,30)21-9-5-19(23)6-10-21/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone has a molecular weight of 458.97 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 2710663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).