N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide

C14H20Cl2N3O3S+ — CID 8754410

IUPACN-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide
SMILESCC(=O)NCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c1-11(20)17-5-6-18-7-9-19(10-8-18)23(21,22)13-4-2-3-12(15)14(13)16/h2-4H,5-10H2,1H3,(H,17,20)/p+1
InChIKeyGQBURMLQZHXJBD-UHFFFAOYSA-O
MW381.31 g/mol
LogP0.02
Rot. Bonds5

About N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide

N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide (PubChem CID 8754410) has the molecular formula C14H20Cl2N3O3S+ and a molecular weight of 381.31 g/mol. Its IUPAC name is N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide
PubChem CID8754410
Molecular FormulaC14H20Cl2N3O3S+
Molecular Weight381.31 g/mol
Exact Mass380.06
IUPAC NameN-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide
SMILESCC(=O)NCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c1-11(20)17-5-6-18-7-9-19(10-8-18)23(21,22)13-4-2-3-12(15)14(13)16/h2-4H,5-10H2,1H3,(H,17,20)/p+1
InChIKeyGQBURMLQZHXJBD-UHFFFAOYSA-O
XLogP0.02
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8754411
N'-acetyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide
CID 8555315
N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide
CID 8686905
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide
CID 8758217
N-[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide
CID 8685028
N-[(1S)-1-cyclopropylethyl]-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8754414
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 27563305
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
1-(2,3-dichlorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CID 8758193
1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103333
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide (CID 8754410) is N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide is CC(=O)NCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide?
The InChIKey is GQBURMLQZHXJBD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19Cl2N3O3S/c1-11(20)17-5-6-18-7-9-19(10-8-18)23(21,22)13-4-2-3-12(15)14(13)16/h2-4H,5-10H2,1H3,(H,17,20)/p+1.
What are the key properties of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide?
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide has a molecular weight of 381.31 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide is sourced from PubChem (CID 8754410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).