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

C14H19Cl2N3O3S — CID 1085679

IUPACN-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(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
InChIKeyGXAPDNCKCFZOBO-UHFFFAOYSA-N
MW380.30 g/mol
LogP1.53
Rot. Bonds4

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

N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 1085679) has the molecular formula C14H19Cl2N3O3S and a molecular weight of 380.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID1085679
Molecular FormulaC14H19Cl2N3O3S
Molecular Weight380.30 g/mol
Exact Mass379.05
IUPAC NameN-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(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
InChIKeyGXAPDNCKCFZOBO-UHFFFAOYSA-N
XLogP1.53
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (CID 1085679) is N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is CN1CCN(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-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is GXAPDNCKCFZOBO-UHFFFAOYSA-N. 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.
What are the key properties of N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
N-(3,5-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 380.30 g/mol, XLogP of 1.53, 4 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-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 1085679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).