2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

C13H12ClN3O4S2 — CID 9239780

IUPAC2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C13H12ClN3O4S2/c1-8-2-4-9(5-3-8)15-12(18)13(19)16-17-23(20,21)11-7-6-10(14)22-11/h2-7,17H,1H3,(H,15,18)(H,16,19)
InChIKeyQLPYJXCTPCOKLK-UHFFFAOYSA-N
MW373.84 g/mol
LogP1.66
Rot. Bonds4

About 2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 9239780) has the molecular formula C13H12ClN3O4S2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID9239780
Molecular FormulaC13H12ClN3O4S2
Molecular Weight373.84 g/mol
Exact Mass373.00
IUPAC Name2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C13H12ClN3O4S2/c1-8-2-4-9(5-3-8)15-12(18)13(19)16-17-23(20,21)11-7-6-10(14)22-11/h2-7,17H,1H3,(H,15,18)(H,16,19)
InChIKeyQLPYJXCTPCOKLK-UHFFFAOYSA-N
XLogP1.66
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 8500723
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504948
2-[2-(3-chlorophenyl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9239659
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9239952
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998754
N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554233
N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide
CID 8616801
N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide
CID 47062969
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883
N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide
CID 2000300
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (CID 9239780) is 2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is QLPYJXCTPCOKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4S2/c1-8-2-4-9(5-3-8)15-12(18)13(19)16-17-23(20,21)11-7-6-10(14)22-11/h2-7,17H,1H3,(H,15,18)(H,16,19).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 373.84 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 9239780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).