N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide

C16H17Cl2N3O3S2 — CID 31378805

IUPACN-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N3O3S2/c17-12-1-3-13(4-2-12)19-15(22)11-20-7-9-21(10-8-20)26(23,24)16-6-5-14(18)25-16/h1-6H,7-11H2,(H,19,22)
InChIKeyFVVPGFVUYMYNHK-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.00
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide

N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 31378805) has the molecular formula C16H17Cl2N3O3S2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID31378805
Molecular FormulaC16H17Cl2N3O3S2
Molecular Weight434.37 g/mol
Exact Mass433.01
IUPAC NameN-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N3O3S2/c17-12-1-3-13(4-2-12)19-15(22)11-20-7-9-21(10-8-20)26(23,24)16-6-5-14(18)25-16/h1-6H,7-11H2,(H,19,22)
InChIKeyFVVPGFVUYMYNHK-UHFFFAOYSA-N
XLogP3.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 60501808
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]-N-(3-methylphenyl)acetamide
CID 9304443
methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 9304423
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 29354188
2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 26607166
N-(3-chlorophenyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 26390002
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 39745188
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9304405
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide (CID 31378805) is N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is FVVPGFVUYMYNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S2/c17-12-1-3-13(4-2-12)19-15(22)11-20-7-9-21(10-8-20)26(23,24)16-6-5-14(18)25-16/h1-6H,7-11H2,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 434.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 31378805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).