[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone

C25H25ClN2O3S — CID 152814620

IUPAC[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)cc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H25ClN2O3S/c1-19-7-12-23(32(30,31)18-20-8-10-21(26)11-9-20)17-24(19)25(29)28-15-13-27(14-16-28)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3
InChIKeySSDAYALBLDXPSE-UHFFFAOYSA-N
MW469.01 g/mol
LogP4.58
Rot. Bonds5

About [5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone

[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 152814620) has the molecular formula C25H25ClN2O3S and a molecular weight of 469.01 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID152814620
Molecular FormulaC25H25ClN2O3S
Molecular Weight469.01 g/mol
Exact Mass468.13
IUPAC Name[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)cc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H25ClN2O3S/c1-19-7-12-23(32(30,31)18-20-8-10-21(26)11-9-20)17-24(19)25(29)28-15-13-27(14-16-28)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3
InChIKeySSDAYALBLDXPSE-UHFFFAOYSA-N
XLogP4.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-butylphenyl)methylsulfonyl]-2-methylphenyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 157085617
[5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 28590325
[5-[(4-butylphenyl)methylsulfonyl]-2-methylphenyl]-[4-(2-phenylphenyl)piperazin-1-yl]methanone
CID 153185001
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide
CID 9146351
N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 53257718
N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31567043
4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 27243877
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
4-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 120641426
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358
[5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 134501439
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone (CID 152814620) is [5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone is Cc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)cc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is SSDAYALBLDXPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3S/c1-19-7-12-23(32(30,31)18-20-8-10-21(26)11-9-20)17-24(19)25(29)28-15-13-27(14-16-28)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3.
What are the key properties of [5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone?
[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 469.01 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 152814620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).