N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide

C19H21Cl2N3O3S — CID 1208639

IUPACN-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H21Cl2N3O3S/c1-28(26,27)24(18-12-15(20)11-16(21)13-18)14-19(25)23-9-7-22(8-10-23)17-5-3-2-4-6-17/h2-6,11-13H,7-10,14H2,1H3
InChIKeyUFJLBPQADJGVDB-UHFFFAOYSA-N
MW442.37 g/mol
LogP3.11
Rot. Bonds5

About N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide

N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (PubChem CID 1208639) has the molecular formula C19H21Cl2N3O3S and a molecular weight of 442.37 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
PubChem CID1208639
Molecular FormulaC19H21Cl2N3O3S
Molecular Weight442.37 g/mol
Exact Mass441.07
IUPAC NameN-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H21Cl2N3O3S/c1-28(26,27)24(18-12-15(20)11-16(21)13-18)14-19(25)23-9-7-22(8-10-23)17-5-3-2-4-6-17/h2-6,11-13H,7-10,14H2,1H3
InChIKeyUFJLBPQADJGVDB-UHFFFAOYSA-N
XLogP3.11
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (CID 1208639) is N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The InChIKey is UFJLBPQADJGVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3S/c1-28(26,27)24(18-12-15(20)11-16(21)13-18)14-19(25)23-9-7-22(8-10-23)17-5-3-2-4-6-17/h2-6,11-13H,7-10,14H2,1H3.
What are the key properties of N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide has a molecular weight of 442.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 1208639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).