3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide

C21H26ClN3O3S — CID 55361022

IUPAC3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
SMILESCCN1CCN(c2ccccc2NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-2-24-12-14-25(15-13-24)20-6-4-3-5-19(20)23-21(26)11-16-29(27,28)18-9-7-17(22)8-10-18/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyXMDZKJKMSRZIBC-UHFFFAOYSA-N
MW435.98 g/mol
LogP3.28
Rot. Bonds7

About 3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide

3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide (PubChem CID 55361022) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
PubChem CID55361022
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
SMILESCCN1CCN(c2ccccc2NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-2-24-12-14-25(15-13-24)20-6-4-3-5-19(20)23-21(26)11-16-29(27,28)18-9-7-17(22)8-10-18/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyXMDZKJKMSRZIBC-UHFFFAOYSA-N
XLogP3.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3889301
3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 25161687
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 43039929
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901029
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
CID 55757427
1-[1-(4-chlorophenyl)ethyl]-3-[2-(4-ethylpiperazin-1-yl)phenyl]urea
CID 55695945
3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide
CID 26898062
3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 18076702
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[2-(4-ethylpiperazin-1-yl)phenyl]-1-methylurea
CID 51945422

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide (CID 55361022) is 3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide is CCN1CCN(c2ccccc2NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is XMDZKJKMSRZIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-2-24-12-14-25(15-13-24)20-6-4-3-5-19(20)23-21(26)11-16-29(27,28)18-9-7-17(22)8-10-18/h3-10H,2,11-16H2,1H3,(H,23,26).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 435.98 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 55361022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).