[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone

C22H22Cl2N4O3S — CID 26204876

IUPAC[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc2)n1
InChIInChI=1S/C22H22Cl2N4O3S/c1-15-14-16(2)28(25-15)18-8-6-17(7-9-18)22(29)26-10-12-27(13-11-26)32(30,31)20-5-3-4-19(23)21(20)24/h3-9,14H,10-13H2,1-2H3
InChIKeyWVHDJXTUHGNKID-UHFFFAOYSA-N
MW493.42 g/mol
LogP3.94
Rot. Bonds4

About [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone

[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone (PubChem CID 26204876) has the molecular formula C22H22Cl2N4O3S and a molecular weight of 493.42 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
PubChem CID26204876
Molecular FormulaC22H22Cl2N4O3S
Molecular Weight493.42 g/mol
Exact Mass492.08
IUPAC Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc2)n1
InChIInChI=1S/C22H22Cl2N4O3S/c1-15-14-16(2)28(25-15)18-8-6-17(7-9-18)22(29)26-10-12-27(13-11-26)32(30,31)20-5-3-4-19(23)21(20)24/h3-9,14H,10-13H2,1-2H3
InChIKeyWVHDJXTUHGNKID-UHFFFAOYSA-N
XLogP3.94
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone (CID 26204876) is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone is Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc2)n1.
What is the InChIKey of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The InChIKey is WVHDJXTUHGNKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O3S/c1-15-14-16(2)28(25-15)18-8-6-17(7-9-18)22(29)26-10-12-27(13-11-26)32(30,31)20-5-3-4-19(23)21(20)24/h3-9,14H,10-13H2,1-2H3.
What are the key properties of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone has a molecular weight of 493.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 26204876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).