N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide

C15H17N3O6S — CID 26487286

IUPACN'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)o1
InChIInChI=1S/C15H17N3O6S/c1-8-5-12(18(20)21)7-14(10(8)3)25(22,23)17-16-15(19)13-6-9(2)24-11(13)4/h5-7,17H,1-4H3,(H,16,19)
InChIKeyQFRIBJFGGYEMSM-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.04
Rot. Bonds5

About N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide

N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 26487286) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
PubChem CID26487286
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC NameN'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)o1
InChIInChI=1S/C15H17N3O6S/c1-8-5-12(18(20)21)7-14(10(8)3)25(22,23)17-16-15(19)13-6-9(2)24-11(13)4/h5-7,17H,1-4H3,(H,16,19)
InChIKeyQFRIBJFGGYEMSM-UHFFFAOYSA-N
XLogP2.04
TPSA131.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide
CID 24622020
N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26488487
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 24510084
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
N,2,3-trimethyl-5-nitrobenzenesulfonamide
CID 26527022
N-tert-butyl-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 17410019
N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 9277093
2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide
CID 78895737
N-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 3563698
2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide
CID 26980778

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (CID 26487286) is N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)o1.
What is the InChIKey of N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is QFRIBJFGGYEMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-8-5-12(18(20)21)7-14(10(8)3)25(22,23)17-16-15(19)13-6-9(2)24-11(13)4/h5-7,17H,1-4H3,(H,16,19).
What are the key properties of N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 367.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 26487286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).