(2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C17H15ClF2N2O3S — CID 8838545

IUPAC(2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H15ClF2N2O3S/c18-14-11-12(19)5-6-13(14)17(23)21-7-9-22(10-8-21)26(24,25)16-4-2-1-3-15(16)20/h1-6,11H,7-10H2
InChIKeySVFYPAFSXNXCKP-UHFFFAOYSA-N
MW400.83 g/mol
LogP2.76
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 8838545) has the molecular formula C17H15ClF2N2O3S and a molecular weight of 400.83 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID8838545
Molecular FormulaC17H15ClF2N2O3S
Molecular Weight400.83 g/mol
Exact Mass400.05
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H15ClF2N2O3S/c18-14-11-12(19)5-6-13(14)17(23)21-7-9-22(10-8-21)26(24,25)16-4-2-1-3-15(16)20/h1-6,11H,7-10H2
InChIKeySVFYPAFSXNXCKP-UHFFFAOYSA-N
XLogP2.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Isomerase, glucose
CID 1151718
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
CID 135393501
4-[4-(2-Chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide
CID 155937511
4-[4-(3-Fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 36275608
N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
CID 155529361
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CID 984480
3-chloro-4-fluoro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984858
Phenyl[4-(phenylsulfonyl)piperazin-1-yl]methanone
CID 777481
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 3684814
2-chloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-3-(trifluoromethyl)benzamide
CID 71719305
2-chloro-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431464
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-chloro-benzamide
CID 130431470

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 8838545) is (2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is SVFYPAFSXNXCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O3S/c18-14-11-12(19)5-6-13(14)17(23)21-7-9-22(10-8-21)26(24,25)16-4-2-1-3-15(16)20/h1-6,11H,7-10H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 400.83 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 8838545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).