N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide

C15H14ClFN2O4S — CID 51204944

IUPACN-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C15H14ClFN2O4S/c1-19(23-2)24(21,22)12-5-3-4-10(8-12)15(20)18-14-7-6-11(17)9-13(14)16/h3-9H,1-2H3,(H,18,20)
InChIKeyQPNQBXABHCFEPL-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.91
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide

N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 51204944) has the molecular formula C15H14ClFN2O4S and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID51204944
Molecular FormulaC15H14ClFN2O4S
Molecular Weight372.81 g/mol
Exact Mass372.03
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C15H14ClFN2O4S/c1-19(23-2)24(21,22)12-5-3-4-10(8-12)15(20)18-14-7-6-11(17)9-13(14)16/h3-9H,1-2H3,(H,18,20)
InChIKeyQPNQBXABHCFEPL-UHFFFAOYSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 34276394
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
N-(2-chloro-4-fluorophenyl)-3-iodobenzamide
CID 26364200
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445
3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 9270787
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide
CID 2081743
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4250932
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide
CID 109065487

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide (CID 51204944) is N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is QPNQBXABHCFEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4S/c1-19(23-2)24(21,22)12-5-3-4-10(8-12)15(20)18-14-7-6-11(17)9-13(14)16/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 372.81 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 51204944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).