N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide

C19H17FN2O4S — CID 36897387

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H17FN2O4S/c1-21-27(24,25)17-4-2-3-14(11-17)19(23)22-12-16-9-10-18(26-16)13-5-7-15(20)8-6-13/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyNSHHPEZPQXXMCH-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.92
Rot. Bonds6

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide (PubChem CID 36897387) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide
PubChem CID36897387
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H17FN2O4S/c1-21-27(24,25)17-4-2-3-14(11-17)19(23)22-12-16-9-10-18(26-16)13-5-7-15(20)8-6-13/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyNSHHPEZPQXXMCH-UHFFFAOYSA-N
XLogP2.92
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide
CID 36897993
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781
4-[[5-(4-fluorophenyl)furan-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 30784702
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide
CID 78866825
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
CID 9204101
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245913
3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553753
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide
CID 171794388

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide (CID 36897387) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is NSHHPEZPQXXMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-21-27(24,25)17-4-2-3-14(11-17)19(23)22-12-16-9-10-18(26-16)13-5-7-15(20)8-6-13/h2-11,21H,12H2,1H3,(H,22,23).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 388.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 36897387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).