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

C22H20ClFN2O3S — CID 5073705

IUPACN-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H20ClFN2O3S/c23-19-7-3-16(4-8-19)13-14-25-22(27)18-5-1-17(2-6-18)15-26-30(28,29)21-11-9-20(24)10-12-21/h1-12,26H,13-15H2,(H,25,27)
InChIKeyUHEMYHKURFPZKB-UHFFFAOYSA-N
MW446.93 g/mol
LogP3.93
Rot. Bonds8

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

N-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide (PubChem CID 5073705) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
PubChem CID5073705
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H20ClFN2O3S/c23-19-7-3-16(4-8-19)13-14-25-22(27)18-5-1-17(2-6-18)15-26-30(28,29)21-11-9-20(24)10-12-21/h1-12,26H,13-15H2,(H,25,27)
InChIKeyUHEMYHKURFPZKB-UHFFFAOYSA-N
XLogP3.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide (CID 5073705) is N-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide?
The InChIKey is UHEMYHKURFPZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c23-19-7-3-16(4-8-19)13-14-25-22(27)18-5-1-17(2-6-18)15-26-30(28,29)21-11-9-20(24)10-12-21/h1-12,26H,13-15H2,(H,25,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide?
N-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide has a molecular weight of 446.93 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 5073705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).