N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide

C19H20Cl3N3O3S — CID 982842

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl3N3O3S/c1-29(27,28)25(18-12-15(21)5-6-17(18)22)13-19(26)24-9-7-23(8-10-24)16-4-2-3-14(20)11-16/h2-6,11-12H,7-10,13H2,1H3
InChIKeyBZLHJOKSXGJVPH-UHFFFAOYSA-N
MW476.81 g/mol
LogP3.76
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide (PubChem CID 982842) has the molecular formula C19H20Cl3N3O3S and a molecular weight of 476.81 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide
PubChem CID982842
Molecular FormulaC19H20Cl3N3O3S
Molecular Weight476.81 g/mol
Exact Mass475.03
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl3N3O3S/c1-29(27,28)25(18-12-15(21)5-6-17(18)22)13-19(26)24-9-7-23(8-10-24)16-4-2-3-14(20)11-16/h2-6,11-12H,7-10,13H2,1H3
InChIKeyBZLHJOKSXGJVPH-UHFFFAOYSA-N
XLogP3.76
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.81
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464624
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methyl-5-nitrophenyl)methanesulfonamide
CID 19061699
N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1137013
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 30269019
N-(3-chlorophenyl)-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]methanesulfonamide
CID 32746543
N-(4-chloro-2-methylphenyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 126154958
N-(4-chlorophenyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 126126073
N-(2,3-dichlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1320179
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 126142007
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-N-(4-fluorophenyl)methanesulfonamide
CID 21368273
N-(2,3-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1321606
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 126120205

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide (CID 982842) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide?
The InChIKey is BZLHJOKSXGJVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O3S/c1-29(27,28)25(18-12-15(21)5-6-17(18)22)13-19(26)24-9-7-23(8-10-24)16-4-2-3-14(20)11-16/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-(2,5-dichlorophenyl)methanesulfonamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide has a molecular weight of 476.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 982842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).