[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone

C19H21FN2O3S — CID 110365411

IUPAC[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-15-4-2-3-5-18(15)19(23)21-10-12-22(13-11-21)26(24,25)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3
InChIKeyRWXYHQADNRSOTK-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.42
Rot. Bonds4

About [4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone

[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 110365411) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID110365411
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-15-4-2-3-5-18(15)19(23)21-10-12-22(13-11-21)26(24,25)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3
InChIKeyRWXYHQADNRSOTK-UHFFFAOYSA-N
XLogP2.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 35371198
[4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110365412
(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 51151956
(2-methylphenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone
CID 110365415
[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110396106
3-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798237
(2-chlorophenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365481
(3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 31833564
(2-aminophenyl)-(4-benzylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119943877
4-[(4-fluorophenyl)methylsulfonyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110811162
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
(4-benzylsulfonylpiperazin-1-yl)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methanone
CID 27757260

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone (CID 110365411) is [4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is RWXYHQADNRSOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-15-4-2-3-5-18(15)19(23)21-10-12-22(13-11-21)26(24,25)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3.
What are the key properties of [4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone?
[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 376.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 110365411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).