N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide

C17H16F2N2O3S — CID 51120364

IUPACN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O3S/c18-12-3-8-15(16(19)9-12)17(22)20-10-11-1-6-14(7-2-11)25(23,24)21-13-4-5-13/h1-3,6-9,13,21H,4-5,10H2,(H,20,22)
InChIKeyTXVZYUPZUIBMMO-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.34
Rot. Bonds6

About N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide (PubChem CID 51120364) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide
PubChem CID51120364
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O3S/c18-12-3-8-15(16(19)9-12)17(22)20-10-11-1-6-14(7-2-11)25(23,24)21-13-4-5-13/h1-3,6-9,13,21H,4-5,10H2,(H,20,22)
InChIKeyTXVZYUPZUIBMMO-UHFFFAOYSA-N
XLogP2.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108736020
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17497716
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 55846765
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55959373
2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24637964
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
4-cyclohexyl-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]benzamide
CID 52685874
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55845901
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide?
The IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide (CID 51120364) is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide is O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide?
The InChIKey is TXVZYUPZUIBMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-12-3-8-15(16(19)9-12)17(22)20-10-11-1-6-14(7-2-11)25(23,24)21-13-4-5-13/h1-3,6-9,13,21H,4-5,10H2,(H,20,22).
What are the key properties of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide?
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide has a molecular weight of 366.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide is sourced from PubChem (CID 51120364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).