N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide

C13H13ClN2O3S2 — CID 8504948

IUPACN'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C13H13ClN2O3S2/c1-8-3-4-10(9(2)7-8)13(17)15-16-21(18,19)12-6-5-11(14)20-12/h3-7,16H,1-2H3,(H,15,17)
InChIKeyXZUJNFFHDZRTMW-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.64
Rot. Bonds4

About N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide

N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide (PubChem CID 8504948) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide
PubChem CID8504948
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC NameN'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C13H13ClN2O3S2/c1-8-3-4-10(9(2)7-8)13(17)15-16-21(18,19)12-6-5-11(14)20-12/h3-7,16H,1-2H3,(H,15,17)
InChIKeyXZUJNFFHDZRTMW-UHFFFAOYSA-N
XLogP2.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.64
H-Bond Donors ≤ 52
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'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 8500723
2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9239780
N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504906
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3,5-dimethylbenzoic acid
CID 62778512
N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504967
N'-(2,4-difluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504905
N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide
CID 8616801
N-(2-amino-4-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 43259125
5-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113016834
N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
CID 54112488

Frequently Asked Questions

What is the IUPAC name of N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide (CID 8504948) is N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)s2)c(C)c1.
What is the InChIKey of N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide?
The InChIKey is XZUJNFFHDZRTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-8-3-4-10(9(2)7-8)13(17)15-16-21(18,19)12-6-5-11(14)20-12/h3-7,16H,1-2H3,(H,15,17).
What are the key properties of N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide?
N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide has a molecular weight of 344.85 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 8504948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).