N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C18H17FN2O5S — CID 24648339

IUPACN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1ccc(NC(=O)C2=COCCO2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C18H17FN2O5S/c1-12-6-7-13(20-18(22)16-11-25-8-9-26-16)10-17(12)27(23,24)21-15-5-3-2-4-14(15)19/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyYLRILJAIQVIFEM-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.76
Rot. Bonds5

About N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 24648339) has the molecular formula C18H17FN2O5S and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID24648339
Molecular FormulaC18H17FN2O5S
Molecular Weight392.41 g/mol
Exact Mass392.08
IUPAC NameN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1ccc(NC(=O)C2=COCCO2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C18H17FN2O5S/c1-12-6-7-13(20-18(22)16-11-25-8-9-26-16)10-17(12)27(23,24)21-15-5-3-2-4-14(15)19/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyYLRILJAIQVIFEM-UHFFFAOYSA-N
XLogP2.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 31474763
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24648342
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrothiophene-2-carboxamide
CID 31474760
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 37194892
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide
CID 4555053
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 31474000
4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576215
N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide
CID 56520478
methyl 2-ethyl-5-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31474833
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 24648345

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 24648339) is N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is Cc1ccc(NC(=O)C2=COCCO2)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is YLRILJAIQVIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5S/c1-12-6-7-13(20-18(22)16-11-25-8-9-26-16)10-17(12)27(23,24)21-15-5-3-2-4-14(15)19/h2-7,10-11,21H,8-9H2,1H3,(H,20,22).
What are the key properties of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 24648339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).