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

C18H21FN2O3S — CID 109062897

IUPAC3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3S/c1-3-13(2)21-25(23,24)17-6-4-5-15(11-17)18(22)20-12-14-7-9-16(19)10-8-14/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyLPFDVCRWWTUJLC-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.83
Rot. Bonds7

About 3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide

3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 109062897) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID109062897
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3S/c1-3-13(2)21-25(23,24)17-6-4-5-15(11-17)18(22)20-12-14-7-9-16(19)10-8-14/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyLPFDVCRWWTUJLC-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062787
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide
CID 55724845
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141
3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
CID 109062923
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245913
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
N-[(2R)-2-(ethylamino)propyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 120651903
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide (CID 109062897) is 3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide is CCC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is LPFDVCRWWTUJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-13(2)21-25(23,24)17-6-4-5-15(11-17)18(22)20-12-14-7-9-16(19)10-8-14/h4-11,13,21H,3,12H2,1-2H3,(H,20,22).
What are the key properties of 3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide?
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 364.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 109062897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).