2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide

C17H18Cl2N4O4S2 — CID 26607166

IUPAC2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N4O4S2/c18-13-4-2-1-3-12(13)17(25)21-20-15(24)11-22-7-9-23(10-8-22)29(26,27)16-6-5-14(19)28-16/h1-6H,7-11H2,(H,20,24)(H,21,25)
InChIKeyOJGIYBNIQGWYGC-UHFFFAOYSA-N
MW477.40 g/mol
LogP1.82
Rot. Bonds5

About 2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide

2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide (PubChem CID 26607166) has the molecular formula C17H18Cl2N4O4S2 and a molecular weight of 477.40 g/mol. Its IUPAC name is 2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
PubChem CID26607166
Molecular FormulaC17H18Cl2N4O4S2
Molecular Weight477.40 g/mol
Exact Mass476.01
IUPAC Name2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N4O4S2/c18-13-4-2-1-3-12(13)17(25)21-20-15(24)11-22-7-9-23(10-8-22)29(26,27)16-6-5-14(19)28-16/h1-6H,7-11H2,(H,20,24)(H,21,25)
InChIKeyOJGIYBNIQGWYGC-UHFFFAOYSA-N
XLogP1.82
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 9304423
4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide
CID 55498911
N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 31378805
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 9304443
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55411004
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 39745188
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9304405
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4824972
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 55365337
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide (CID 26607166) is 2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide is O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide?
The InChIKey is OJGIYBNIQGWYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O4S2/c18-13-4-2-1-3-12(13)17(25)21-20-15(24)11-22-7-9-23(10-8-22)29(26,27)16-6-5-14(19)28-16/h1-6H,7-11H2,(H,20,24)(H,21,25).
What are the key properties of 2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide?
2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide has a molecular weight of 477.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 26607166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).