[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone

C22H27ClN2O3S — CID 145027348

IUPAC[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone
SMILESCc1cc(Cl)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C22H27ClN2O3S/c1-16-13-17(15-19(23)14-16)21(26)24-9-11-25(12-10-24)29(27,28)20-7-5-18(6-8-20)22(2,3)4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyFBGCNFBMZUPVPM-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.09
Rot. Bonds3

About [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone

[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone (PubChem CID 145027348) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone
PubChem CID145027348
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone
SMILESCc1cc(Cl)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C22H27ClN2O3S/c1-16-13-17(15-19(23)14-16)21(26)24-9-11-25(12-10-24)29(27,28)20-7-5-18(6-8-20)22(2,3)4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyFBGCNFBMZUPVPM-UHFFFAOYSA-N
XLogP4.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone 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

[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 24765755
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 9150197
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 7944164
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,2,2-trifluoroethanone
CID 108567599
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 26202322
(3-chloro-4-methoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 100688213
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 55337683
(4-tert-butylphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 26868082
(5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26750377
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 26313374

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone?
The IUPAC name of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone (CID 145027348) is [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone.
What is the SMILES notation for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone?
The canonical SMILES for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone is Cc1cc(Cl)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone?
The InChIKey is FBGCNFBMZUPVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-16-13-17(15-19(23)14-16)21(26)24-9-11-25(12-10-24)29(27,28)20-7-5-18(6-8-20)22(2,3)4/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone?
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone has a molecular weight of 434.99 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone is sourced from PubChem (CID 145027348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).