N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

C21H16FN3O3S — CID 46546770

IUPACN-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESN#Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN3O3S/c22-17-9-11-18(12-10-17)29(27,28)25-20-4-2-1-3-19(20)21(26)24-14-16-7-5-15(13-23)6-8-16/h1-12,25H,14H2,(H,24,26)
InChIKeyBMLQQFJLNCREFW-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.43
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 46546770) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID46546770
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC NameN-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESN#Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN3O3S/c22-17-9-11-18(12-10-17)29(27,28)25-20-4-2-1-3-19(20)21(26)24-14-16-7-5-15(13-23)6-8-16/h1-12,25H,14H2,(H,24,26)
InChIKeyBMLQQFJLNCREFW-UHFFFAOYSA-N
XLogP3.43
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2333220
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46101931
N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide
CID 90070509
2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46477862
4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide
CID 30391889
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 99956396
N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 29238978

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (CID 46546770) is N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is N#Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is BMLQQFJLNCREFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c22-17-9-11-18(12-10-17)29(27,28)25-20-4-2-1-3-19(20)21(26)24-14-16-7-5-15(13-23)6-8-16/h1-12,25H,14H2,(H,24,26).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 409.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46546770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).