2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide

C19H18N2O4S — CID 134040433

IUPAC2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2-c2ccccc2)c(C)o1
InChIInChI=1S/C19H18N2O4S/c1-13-12-17(14(2)25-13)19(22)20-21-26(23,24)18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-12,21H,1-2H3,(H,20,22)
InChIKeyZBBAXJJIDRDQPE-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.19
Rot. Bonds5

About 2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide

2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide (PubChem CID 134040433) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide
PubChem CID134040433
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccccc2-c2ccccc2)c(C)o1
InChIInChI=1S/C19H18N2O4S/c1-13-12-17(14(2)25-13)19(22)20-21-26(23,24)18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-12,21H,1-2H3,(H,20,22)
InChIKeyZBBAXJJIDRDQPE-UHFFFAOYSA-N
XLogP3.19
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.19
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

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'-thiophen-2-ylsulfonylfuran-3-carbohydrazide
CID 26980778
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 39769818
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 134040428
N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26487286
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide (CID 134040433) is 2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2-c2ccccc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide?
The InChIKey is ZBBAXJJIDRDQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-13-12-17(14(2)25-13)19(22)20-21-26(23,24)18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-12,21H,1-2H3,(H,20,22).
What are the key properties of 2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide?
2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide has a molecular weight of 370.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide is sourced from PubChem (CID 134040433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).