4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

C16H18ClN3O5S — CID 26895477

IUPAC4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c(C)o1
InChIInChI=1S/C16H18ClN3O5S/c1-9-7-12(10(2)25-9)15(21)18-19-16(22)13-8-11(5-6-14(13)17)26(23,24)20(3)4/h5-8H,1-4H3,(H,18,21)(H,19,22)
InChIKeyPJLAVRWNKXJADK-UHFFFAOYSA-N
MW399.86 g/mol
LogP1.87
Rot. Bonds4

About 4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 26895477) has the molecular formula C16H18ClN3O5S and a molecular weight of 399.86 g/mol. Its IUPAC name is 4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
PubChem CID26895477
Molecular FormulaC16H18ClN3O5S
Molecular Weight399.86 g/mol
Exact Mass399.07
IUPAC Name4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c(C)o1
InChIInChI=1S/C16H18ClN3O5S/c1-9-7-12(10(2)25-9)15(21)18-19-16(22)13-8-11(5-6-14(13)17)26(23,24)20(3)4/h5-8H,1-4H3,(H,18,21)(H,19,22)
InChIKeyPJLAVRWNKXJADK-UHFFFAOYSA-N
XLogP1.87
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 51.87
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-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 31289347
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7419173
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 4845850
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 51166128
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
4-chloro-3-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 26011408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (CID 26895477) is 4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is Cc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c(C)o1.
What is the InChIKey of 4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is PJLAVRWNKXJADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O5S/c1-9-7-12(10(2)25-9)15(21)18-19-16(22)13-8-11(5-6-14(13)17)26(23,24)20(3)4/h5-8H,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 399.86 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 26895477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).