4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide

C17H17FN2O3S — CID 17496581

IUPAC4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H17FN2O3S/c18-14-5-1-12(2-6-14)11-19-17(21)13-3-9-16(10-4-13)24(22,23)20-15-7-8-15/h1-6,9-10,15,20H,7-8,11H2,(H,19,21)
InChIKeyPKYDYPRTAGDJIS-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.20
Rot. Bonds6

About 4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide

4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 17496581) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID17496581
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H17FN2O3S/c18-14-5-1-12(2-6-14)11-19-17(21)13-3-9-16(10-4-13)24(22,23)20-15-7-8-15/h1-6,9-10,15,20H,7-8,11H2,(H,19,21)
InChIKeyPKYDYPRTAGDJIS-UHFFFAOYSA-N
XLogP2.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
4-cyclohexyl-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]benzamide
CID 52685874
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide
CID 51120364
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55847017
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 55846765
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55959373
6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55845607
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide
CID 49391044
4-(cyclopentylsulfamoyl)-N-(furan-3-ylmethyl)benzamide
CID 70751779
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide (CID 17496581) is 4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is PKYDYPRTAGDJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-14-5-1-12(2-6-14)11-19-17(21)13-3-9-16(10-4-13)24(22,23)20-15-7-8-15/h1-6,9-10,15,20H,7-8,11H2,(H,19,21).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide?
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 348.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 17496581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).