3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide

C20H21ClF3N3O3S — CID 33233825

IUPAC3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21ClF3N3O3S/c21-16-4-2-6-18(14-16)31(29,30)25-8-7-19(28)27-11-9-26(10-12-27)17-5-1-3-15(13-17)20(22,23)24/h1-6,13-14,25H,7-12H2
InChIKeyMIAGFGPKUXGCRZ-UHFFFAOYSA-N
MW475.92 g/mol
LogP3.38
Rot. Bonds6

About 3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide

3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide (PubChem CID 33233825) has the molecular formula C20H21ClF3N3O3S and a molecular weight of 475.92 g/mol. Its IUPAC name is 3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide
PubChem CID33233825
Molecular FormulaC20H21ClF3N3O3S
Molecular Weight475.92 g/mol
Exact Mass475.09
IUPAC Name3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21ClF3N3O3S/c21-16-4-2-6-18(14-16)31(29,30)25-8-7-19(28)27-11-9-26(10-12-27)17-5-1-3-15(13-17)20(22,23)24/h1-6,13-14,25H,7-12H2
InChIKeyMIAGFGPKUXGCRZ-UHFFFAOYSA-N
XLogP3.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.92
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-nitro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 17192965
N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24608650
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 46275029
3-(2,4-dichlorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 100607984
4-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 5222838
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
N-(3-chlorophenyl)-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]methanesulfonamide
CID 32746543
3-(benzenesulfonyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 2424550
3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 55462431
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42428628
3,4-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 3466822
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide (CID 33233825) is 3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide?
The InChIKey is MIAGFGPKUXGCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O3S/c21-16-4-2-6-18(14-16)31(29,30)25-8-7-19(28)27-11-9-26(10-12-27)17-5-1-3-15(13-17)20(22,23)24/h1-6,13-14,25H,7-12H2.
What are the key properties of 3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide?
3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide has a molecular weight of 475.92 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 33233825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).