4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide

C21H26ClN3O4S — CID 1319539

IUPAC4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H26ClN3O4S/c1-16(2)23-30(27,28)20-8-6-19(7-9-20)29-15-21(26)25-12-10-24(11-13-25)18-5-3-4-17(22)14-18/h3-9,14,16,23H,10-13,15H2,1-2H3
InChIKeyYUNIGWOKVDYZAY-UHFFFAOYSA-N
MW451.98 g/mol
LogP2.75
Rot. Bonds7

About 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide

4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide (PubChem CID 1319539) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
PubChem CID1319539
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC Name4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H26ClN3O4S/c1-16(2)23-30(27,28)20-8-6-19(7-9-20)29-15-21(26)25-12-10-24(11-13-25)18-5-3-4-17(22)14-18/h3-9,14,16,23H,10-13,15H2,1-2H3
InChIKeyYUNIGWOKVDYZAY-UHFFFAOYSA-N
XLogP2.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dichlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940212
Acetamide, N-(4-(aminosulfonyl)phenyl)-2-(4-chlorophenoxy)-
CID 151533
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenoxypropanamide
CID 16330715
N-[5-[(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71451887
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 5185087
N-[4-[4-[3-(2-chlorophenoxy)propyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2954170
N-(2-ethoxyphenyl)-3-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3245222
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940113
N-(3-chlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940155
N-(2-(3,4-Dichlorophenylamino)ethyl)-2-(4-(methylsulfonamido)phenoxy)acetamide
CID 44622834
N-(4-(2-(4-(3,4-Dichlorophenyl)piperazin-1-yl)-2-oxoethoxy)phenyl)methanesulfonamide
CID 46227094
N-(2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6457540

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide (CID 1319539) is 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is YUNIGWOKVDYZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-16(2)23-30(27,28)20-8-6-19(7-9-20)29-15-21(26)25-12-10-24(11-13-25)18-5-3-4-17(22)14-18/h3-9,14,16,23H,10-13,15H2,1-2H3.
What are the key properties of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 451.98 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1319539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).