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

C15H21Cl2N3O3S — CID 1090651

IUPACN-(3,5-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCCN1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H21Cl2N3O3S/c1-3-18-4-6-19(7-5-18)15(21)11-20(24(2,22)23)14-9-12(16)8-13(17)10-14/h8-10H,3-7,11H2,1-2H3
InChIKeyKPLFPDYBYDPHFU-UHFFFAOYSA-N
MW394.32 g/mol
LogP1.92
Rot. Bonds5

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

N-(3,5-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 1090651) has the molecular formula C15H21Cl2N3O3S and a molecular weight of 394.32 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID1090651
Molecular FormulaC15H21Cl2N3O3S
Molecular Weight394.32 g/mol
Exact Mass393.07
IUPAC NameN-(3,5-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCCN1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H21Cl2N3O3S/c1-3-18-4-6-19(7-5-18)15(21)11-20(24(2,22)23)14-9-12(16)8-13(17)10-14/h8-10H,3-7,11H2,1-2H3
InChIKeyKPLFPDYBYDPHFU-UHFFFAOYSA-N
XLogP1.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 51.92
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-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (CID 1090651) is N-(3,5-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is CCN1CCN(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-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is KPLFPDYBYDPHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O3S/c1-3-18-4-6-19(7-5-18)15(21)11-20(24(2,22)23)14-9-12(16)8-13(17)10-14/h8-10H,3-7,11H2,1-2H3.
What are the key properties of N-(3,5-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
N-(3,5-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 394.32 g/mol, XLogP of 1.92, 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-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 1090651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).