N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide

C14H19Cl2N4O4S+ — CID 8553782

IUPACN'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide
SMILESCC(=O)NNC(=O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N4O4S/c1-10(21)17-18-14(22)9-19-4-6-20(7-5-19)25(23,24)13-8-11(15)2-3-12(13)16/h2-3,8H,4-7,9H2,1H3,(H,17,21)(H,18,22)/p+1
InChIKeyHNQJKZKICPUJSN-UHFFFAOYSA-O
MW410.30 g/mol
LogP-0.95
Rot. Bonds4

About N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide

N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide (PubChem CID 8553782) has the molecular formula C14H19Cl2N4O4S+ and a molecular weight of 410.30 g/mol. Its IUPAC name is N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide
PubChem CID8553782
Molecular FormulaC14H19Cl2N4O4S+
Molecular Weight410.30 g/mol
Exact Mass409.05
IUPAC NameN'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide
SMILESCC(=O)NNC(=O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N4O4S/c1-10(21)17-18-14(22)9-19-4-6-20(7-5-19)25(23,24)13-8-11(15)2-3-12(13)16/h2-3,8H,4-7,9H2,1H3,(H,17,21)(H,18,22)/p+1
InChIKeyHNQJKZKICPUJSN-UHFFFAOYSA-O
XLogP-0.95
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide
CID 8555315
N-benzhydryl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2507952
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 2698133
1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 6957242
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone
CID 5079371
N-tert-butyl-2-[4-(4-chloro-2-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide
CID 8843426
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
N-(4-chlorophenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8744593
N-(2,5-dichlorophenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2088229
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647741
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 5092989
(3S)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126398447

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide?
The IUPAC name of N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide (CID 8553782) is N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide is CC(=O)NNC(=O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide?
The InChIKey is HNQJKZKICPUJSN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18Cl2N4O4S/c1-10(21)17-18-14(22)9-19-4-6-20(7-5-19)25(23,24)13-8-11(15)2-3-12(13)16/h2-3,8H,4-7,9H2,1H3,(H,17,21)(H,18,22)/p+1.
What are the key properties of N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide?
N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide has a molecular weight of 410.30 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide is sourced from PubChem (CID 8553782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).