N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide

C16H25ClN3O3S+ — CID 7378847

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-3-18-8-10-19(11-9-18)16(21)13-20(24(2,22)23)12-14-4-6-15(17)7-5-14/h4-7H,3,8-13H2,1-2H3/p+1
InChIKeyHBVNHUYBWLIPQI-UHFFFAOYSA-O
MW374.91 g/mol
LogP-0.15
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide

N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 7378847) has the molecular formula C16H25ClN3O3S+ and a molecular weight of 374.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID7378847
Molecular FormulaC16H25ClN3O3S+
Molecular Weight374.91 g/mol
Exact Mass374.13
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-3-18-8-10-19(11-9-18)16(21)13-20(24(2,22)23)12-14-4-6-15(17)7-5-14/h4-7H,3,8-13H2,1-2H3/p+1
InChIKeyHBVNHUYBWLIPQI-UHFFFAOYSA-O
XLogP-0.15
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-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

Related Compounds

N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2228964
ethyl 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetyl]piperidine-4-carboxylate
CID 2967331
N-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 6459025
N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113152545
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 100796093
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113151239
N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 113151736
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113151250
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 113151747
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
CID 6957245
4-chloro-N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2925027
N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 126010590

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide (CID 7378847) is N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide is CC[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is HBVNHUYBWLIPQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24ClN3O3S/c1-3-18-8-10-19(11-9-18)16(21)13-20(24(2,22)23)12-14-4-6-15(17)7-5-14/h4-7H,3,8-13H2,1-2H3/p+1.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide?
N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 374.91 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 7378847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).