N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide

C21H18ClFN2O3S — CID 155529361

IUPACN-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18ClFN2O3S/c22-18-2-1-3-20(12-18)29(27,28)25-14-16-6-4-15(5-7-16)13-24-21(26)17-8-10-19(23)11-9-17/h1-12,25H,13-14H2,(H,24,26)
InChIKeyOCMDGUYVCQFMLQ-UHFFFAOYSA-N
MW432.90 g/mol
LogP3.89
Rot. Bonds7

About N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide

N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide (PubChem CID 155529361) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
PubChem CID155529361
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC NameN-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18ClFN2O3S/c22-18-2-1-3-20(12-18)29(27,28)25-14-16-6-4-15(5-7-16)13-24-21(26)17-8-10-19(23)11-9-17/h1-12,25H,13-14H2,(H,24,26)
InChIKeyOCMDGUYVCQFMLQ-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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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide (CID 155529361) is N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide is O=C(NCc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide?
The InChIKey is OCMDGUYVCQFMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c22-18-2-1-3-20(12-18)29(27,28)25-14-16-6-4-15(5-7-16)13-24-21(26)17-8-10-19(23)11-9-17/h1-12,25H,13-14H2,(H,24,26).
What are the key properties of N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide?
N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide 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-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 155529361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).