N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide

C17H20ClN3O3S2 — CID 7359928

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20ClN3O3S2/c1-19(26(23,24)17-6-3-11-25-17)13-16(22)21-9-7-20(8-10-21)15-5-2-4-14(18)12-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyZANGHXQXNSPHAL-UHFFFAOYSA-N
MW413.95 g/mol
LogP2.37
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 7359928) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
PubChem CID7359928
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20ClN3O3S2/c1-19(26(23,24)17-6-3-11-25-17)13-16(22)21-9-7-20(8-10-21)15-5-2-4-14(18)12-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyZANGHXQXNSPHAL-UHFFFAOYSA-N
XLogP2.37
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chloro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 893728
AJ-292/14128010
CID 669834
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 16293713
N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 662555
N-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}thiophene-2-sulfonamide
CID 3237909
2-{[4-(2-Chlorophenyl)piperazinyl]sulfonyl}thiophene
CID 1245098
N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2526433
N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
CID 2572988
N-(2-chloro-4-nitrophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 4852317
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15987762
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15987763
CID 16195177
CID 16195177

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide (CID 7359928) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide is CN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is ZANGHXQXNSPHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c1-19(26(23,24)17-6-3-11-25-17)13-16(22)21-9-7-20(8-10-21)15-5-2-4-14(18)12-15/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 413.95 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 7359928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).