[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone

C18H18ClFN2O3S — CID 39636324

IUPAC[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1Cl
InChIInChI=1S/C18H18ClFN2O3S/c1-13-5-6-16(12-17(13)19)26(24,25)22-9-7-21(8-10-22)18(23)14-3-2-4-15(20)11-14/h2-6,11-12H,7-10H2,1H3
InChIKeyKVPSPSDWCVQUPA-UHFFFAOYSA-N
MW396.87 g/mol
LogP2.93
Rot. Bonds3

About [4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone

[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 39636324) has the molecular formula C18H18ClFN2O3S and a molecular weight of 396.87 g/mol. Its IUPAC name is [4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID39636324
Molecular FormulaC18H18ClFN2O3S
Molecular Weight396.87 g/mol
Exact Mass396.07
IUPAC Name[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1Cl
InChIInChI=1S/C18H18ClFN2O3S/c1-13-5-6-16(12-17(13)19)26(24,25)22-9-7-21(8-10-22)18(23)14-3-2-4-15(20)11-14/h2-6,11-12H,7-10H2,1H3
InChIKeyKVPSPSDWCVQUPA-UHFFFAOYSA-N
XLogP2.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 26558503
[4-(3-fluoro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 39634194
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 7944521
(3-aminophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678940
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(3-chlorophenyl)methanone
CID 26905522
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 9369509
[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 22830682
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23853559
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26869413
3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 4805711

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone (CID 39636324) is [4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is KVPSPSDWCVQUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S/c1-13-5-6-16(12-17(13)19)26(24,25)22-9-7-21(8-10-22)18(23)14-3-2-4-15(20)11-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 396.87 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 39636324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).