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

C14H20Cl2N3O3S+ — CID 6964836

IUPACN-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
SMILESC[NH+]1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c1-17-3-5-18(6-4-17)14(20)10-19(23(2,21)22)13-8-11(15)7-12(16)9-13/h7-9H,3-6,10H2,1-2H3/p+1
InChIKeyGXAPDNCKCFZOBO-UHFFFAOYSA-O
MW381.31 g/mol
LogP0.12
Rot. Bonds4

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

N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 6964836) has the molecular formula C14H20Cl2N3O3S+ and a molecular weight of 381.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID6964836
Molecular FormulaC14H20Cl2N3O3S+
Molecular Weight381.31 g/mol
Exact Mass380.06
IUPAC NameN-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
SMILESC[NH+]1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c1-17-3-5-18(6-4-17)14(20)10-19(23(2,21)22)13-8-11(15)7-12(16)9-13/h7-9H,3-6,10H2,1-2H3/p+1
InChIKeyGXAPDNCKCFZOBO-UHFFFAOYSA-O
XLogP0.12
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)methanesulfonamide
CID 6964825
N-(4-bromophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
CID 7457052
N-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
CID 2234575
N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide
CID 20524752
N-(3-chloro-4-fluorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 967280
4-chloro-N-(3-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2229651
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dimethylphenyl)methanesulfonamide
CID 126155523
ethyl 4-[2-(3-chloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1143028
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 982842
N-(3,4-difluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157684
N-(3,4-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 764239
N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide
CID 1260940

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide (CID 6964836) is N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide is C[NH+]1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is GXAPDNCKCFZOBO-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19Cl2N3O3S/c1-17-3-5-18(6-4-17)14(20)10-19(23(2,21)22)13-8-11(15)7-12(16)9-13/h7-9H,3-6,10H2,1-2H3/p+1.
What are the key properties of N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide?
N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 381.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 6964836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).