[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone

C18H19ClN2O3S — CID 75251241

IUPAC[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-14-13-20(18(22)15-5-3-2-4-6-15)11-12-21(14)25(23,24)17-9-7-16(19)8-10-17/h2-10,14H,11-13H2,1H3
InChIKeyLWLZNDBRCIZNNF-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.88
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone

[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone (PubChem CID 75251241) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
PubChem CID75251241
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-14-13-20(18(22)15-5-3-2-4-6-15)11-12-21(14)25(23,24)17-9-7-16(19)8-10-17/h2-10,14H,11-13H2,1H3
InChIKeyLWLZNDBRCIZNNF-UHFFFAOYSA-N
XLogP2.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 46910840
[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone
CID 59007124
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
[(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone
CID 24992533
4-[(3S)-3-methyl-4-methylsulfonylpiperazine-1-carbonyl]benzoic acid
CID 120552705
(3S)-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-3-carboxylic acid
CID 119113675
[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenylmethanone
CID 24749483
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 8713585
1-(4-benzoyl-2-methylpiperazin-1-yl)propane-1,2-dione
CID 23568523
[4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone
CID 24749936
4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
CID 75251376
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone (CID 75251241) is [4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone is CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
The InChIKey is LWLZNDBRCIZNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-14-13-20(18(22)15-5-3-2-4-6-15)11-12-21(14)25(23,24)17-9-7-16(19)8-10-17/h2-10,14H,11-13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone has a molecular weight of 378.88 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 75251241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).