5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide

C22H27ClFN3O4S — CID 30145639

IUPAC5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27ClFN3O4S/c1-3-27(4-2)32(29,30)21-15-17(23)5-10-20(21)31-16-22(28)26-13-11-25(12-14-26)19-8-6-18(24)7-9-19/h5-10,15H,3-4,11-14,16H2,1-2H3
InChIKeyKHWKOCWZYPUIKV-UHFFFAOYSA-N
MW483.99 g/mol
LogP3.24
Rot. Bonds8

About 5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide

5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide (PubChem CID 30145639) has the molecular formula C22H27ClFN3O4S and a molecular weight of 483.99 g/mol. Its IUPAC name is 5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
PubChem CID30145639
Molecular FormulaC22H27ClFN3O4S
Molecular Weight483.99 g/mol
Exact Mass483.14
IUPAC Name5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27ClFN3O4S/c1-3-27(4-2)32(29,30)21-15-17(23)5-10-20(21)31-16-22(28)26-13-11-25(12-14-26)19-8-6-18(24)7-9-19/h5-10,15H,3-4,11-14,16H2,1-2H3
InChIKeyKHWKOCWZYPUIKV-UHFFFAOYSA-N
XLogP3.24
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.99
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004
4-chloro-N-ethyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2983406
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
2-(2,4-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 965458
2-(2-bromo-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9081184
2-(2,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 17217386
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 71848285
2,5-dichloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 1006558
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
2-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9228398
3-(5-chloro-2-methoxyanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027259

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The IUPAC name of 5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide (CID 30145639) is 5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide.
What is the SMILES notation for 5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The canonical SMILES for 5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The InChIKey is KHWKOCWZYPUIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN3O4S/c1-3-27(4-2)32(29,30)21-15-17(23)5-10-20(21)31-16-22(28)26-13-11-25(12-14-26)19-8-6-18(24)7-9-19/h5-10,15H,3-4,11-14,16H2,1-2H3.
What are the key properties of 5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide has a molecular weight of 483.99 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-diethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide is sourced from PubChem (CID 30145639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).