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

C21H18ClFN2O3S — CID 1357720

IUPAC4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-29(27,28)25(14-15-2-6-17(22)7-3-15)20-12-4-16(5-13-20)21(26)24-19-10-8-18(23)9-11-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeySEIGQXQXACGCPE-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.70
Rot. Bonds6

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

4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide (PubChem CID 1357720) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide
PubChem CID1357720
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-29(27,28)25(14-15-2-6-17(22)7-3-15)20-12-4-16(5-13-20)21(26)24-19-10-8-18(23)9-11-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeySEIGQXQXACGCPE-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide (CID 1357720) is 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide is CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide?
The InChIKey is SEIGQXQXACGCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-29(27,28)25(14-15-2-6-17(22)7-3-15)20-12-4-16(5-13-20)21(26)24-19-10-8-18(23)9-11-19/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide?
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide has a molecular weight of 432.90 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 1357720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).