N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide

C11H10Cl2N2O4S2 — CID 39769818

IUPACN'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2cc(Cl)sc2Cl)c(C)o1
InChIInChI=1S/C11H10Cl2N2O4S2/c1-5-3-7(6(2)19-5)11(16)14-15-21(17,18)8-4-9(12)20-10(8)13/h3-4,15H,1-2H3,(H,14,16)
InChIKeyKKEKYVIYUMZZNQ-UHFFFAOYSA-N
MW369.25 g/mol
LogP2.89
Rot. Bonds4

About N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide

N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 39769818) has the molecular formula C11H10Cl2N2O4S2 and a molecular weight of 369.25 g/mol. Its IUPAC name is N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
PubChem CID39769818
Molecular FormulaC11H10Cl2N2O4S2
Molecular Weight369.25 g/mol
Exact Mass367.95
IUPAC NameN'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2cc(Cl)sc2Cl)c(C)o1
InChIInChI=1S/C11H10Cl2N2O4S2/c1-5-3-7(6(2)19-5)11(16)14-15-21(17,18)8-4-9(12)20-10(8)13/h3-4,15H,1-2H3,(H,14,16)
InChIKeyKKEKYVIYUMZZNQ-UHFFFAOYSA-N
XLogP2.89
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide
CID 29099080
2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide
CID 29424945
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804
2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide
CID 134040433
2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide
CID 26980778
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26487286
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463798
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
N'-(4-cyclohexylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980824
N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 31289347

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (CID 39769818) is N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2cc(Cl)sc2Cl)c(C)o1.
What is the InChIKey of N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is KKEKYVIYUMZZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O4S2/c1-5-3-7(6(2)19-5)11(16)14-15-21(17,18)8-4-9(12)20-10(8)13/h3-4,15H,1-2H3,(H,14,16).
What are the key properties of N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 369.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 39769818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).