N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide

C17H19FN2O3S — CID 4790456

IUPACN-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C17H19FN2O3S/c1-12(2)20-24(22,23)15-8-5-7-13(10-15)17(21)19-11-14-6-3-4-9-16(14)18/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyGAOKVMFMWCPEKJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.44
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide

N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 4790456) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID4790456
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C17H19FN2O3S/c1-12(2)20-24(22,23)15-8-5-7-13(10-15)17(21)19-11-14-6-3-4-9-16(14)18/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyGAOKVMFMWCPEKJ-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]-4-(propan-2-ylsulfamoyl)benzamide
CID 26887031
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27009215
N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46461593
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 33107845
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 46469241
5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245913
N-[2-(2-fluorophenyl)ethyl]-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55779272
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55672416

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 4790456) is N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is GAOKVMFMWCPEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12(2)20-24(22,23)15-8-5-7-13(10-15)17(21)19-11-14-6-3-4-9-16(14)18/h3-10,12,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[(2-fluorophenyl)methyl]-3-(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]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 4790456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).