2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide

C17H18F2N2O4S — CID 108736020

IUPAC2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-25-9-8-21-26(23,24)14-5-2-12(3-6-14)11-20-17(22)15-7-4-13(18)10-16(15)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyRKSYADDWEBHBHY-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.82
Rot. Bonds8

About 2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide

2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 108736020) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is 2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
PubChem CID108736020
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC Name2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-25-9-8-21-26(23,24)14-5-2-12(3-6-14)11-20-17(22)15-7-4-13(18)10-16(15)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyRKSYADDWEBHBHY-UHFFFAOYSA-N
XLogP1.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide
CID 51120364
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 31541929
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17474206
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 108736019
2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 60583733
2,4-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352115
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide (CID 108736020) is 2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide is COCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is RKSYADDWEBHBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-25-9-8-21-26(23,24)14-5-2-12(3-6-14)11-20-17(22)15-7-4-13(18)10-16(15)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22).
What are the key properties of 2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 384.40 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 108736020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).