N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide

C21H18ClFN2O3S — CID 5073710

IUPACN-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c22-18-7-3-15(4-8-18)13-24-21(26)17-5-1-16(2-6-17)14-25-29(27,28)20-11-9-19(23)10-12-20/h1-12,25H,13-14H2,(H,24,26)
InChIKeyWVESCBQSNUCZPD-UHFFFAOYSA-N
MW432.90 g/mol
LogP3.89
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide (PubChem CID 5073710) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
PubChem CID5073710
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c22-18-7-3-15(4-8-18)13-24-21(26)17-5-1-16(2-6-17)14-25-29(27,28)20-11-9-19(23)10-12-20/h1-12,25H,13-14H2,(H,24,26)
InChIKeyWVESCBQSNUCZPD-UHFFFAOYSA-N
XLogP3.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521819
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 3311691
N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 32684648
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide (CID 5073710) is N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide is O=C(NCc1ccc(Cl)cc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide?
The InChIKey is WVESCBQSNUCZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c22-18-7-3-15(4-8-18)13-24-21(26)17-5-1-16(2-6-17)14-25-29(27,28)20-11-9-19(23)10-12-20/h1-12,25H,13-14H2,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide?
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide has a molecular weight of 432.90 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 5073710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).