(3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone

C18H18ClFN2O3S — CID 31833564

IUPAC(3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H18ClFN2O3S/c19-16-3-1-2-15(12-16)18(23)21-8-10-22(11-9-21)26(24,25)13-14-4-6-17(20)7-5-14/h1-7,12H,8-11,13H2
InChIKeyGUDFUARZNJKSAQ-UHFFFAOYSA-N
MW396.87 g/mol
LogP2.77
Rot. Bonds4

About (3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone

(3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone (PubChem CID 31833564) has the molecular formula C18H18ClFN2O3S and a molecular weight of 396.87 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone
PubChem CID31833564
Molecular FormulaC18H18ClFN2O3S
Molecular Weight396.87 g/mol
Exact Mass396.07
IUPAC Name(3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H18ClFN2O3S/c19-16-3-1-2-15(12-16)18(23)21-8-10-22(11-9-21)26(24,25)13-14-4-6-17(20)7-5-14/h1-7,12H,8-11,13H2
InChIKeyGUDFUARZNJKSAQ-UHFFFAOYSA-N
XLogP2.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 33138783
(3-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366065
[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110365411
(3-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181358
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CID 108549659
(E)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 33135242
(3-chlorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 133466440
[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33188308
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-4-(4-fluorophenoxy)butan-1-one
CID 78845795
[4-(aminomethyl)phenyl]-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119302772
(3,4-dimethylphenyl)-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365094
2-(3-chlorophenyl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110818175

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone (CID 31833564) is (3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone?
The InChIKey is GUDFUARZNJKSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S/c19-16-3-1-2-15(12-16)18(23)21-8-10-22(11-9-21)26(24,25)13-14-4-6-17(20)7-5-14/h1-7,12H,8-11,13H2.
What are the key properties of (3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone has a molecular weight of 396.87 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 31833564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).