N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide

C17H19FN2O3S — CID 26887031

IUPACN-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-12(2)20-24(22,23)15-9-7-13(8-10-15)17(21)19-11-14-5-3-4-6-16(14)18/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeySRFQLFSSXZSQLE-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.44
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide

N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26887031) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID26887031
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-12(2)20-24(22,23)15-9-7-13(8-10-15)17(21)19-11-14-5-3-4-6-16(14)18/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeySRFQLFSSXZSQLE-UHFFFAOYSA-N
XLogP2.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
N-(2,6-difluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 51309792
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
2-methyl-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119237016
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110496382
N-[2-[di(propan-2-yl)amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24560133
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 26887031) is N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is SRFQLFSSXZSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12(2)20-24(22,23)15-9-7-13(8-10-15)17(21)19-11-14-5-3-4-6-16(14)18/h3-10,12,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26887031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).