4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide

C20H17ClFN3O3S — CID 4882339

IUPAC4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H17ClFN3O3S/c21-18-11-17(8-9-19(18)22)29(27,28)25-12-14-4-6-15(7-5-14)20(26)24-13-16-3-1-2-10-23-16/h1-11,25H,12-13H2,(H,24,26)
InChIKeyQXEAHFSJQPMFBP-UHFFFAOYSA-N
MW433.89 g/mol
LogP3.28
Rot. Bonds7

About 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide

4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 4882339) has the molecular formula C20H17ClFN3O3S and a molecular weight of 433.89 g/mol. Its IUPAC name is 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID4882339
Molecular FormulaC20H17ClFN3O3S
Molecular Weight433.89 g/mol
Exact Mass433.07
IUPAC Name4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H17ClFN3O3S/c21-18-11-17(8-9-19(18)22)29(27,28)25-12-14-4-6-15(7-5-14)20(26)24-13-16-3-1-2-10-23-16/h1-11,25H,12-13H2,(H,24,26)
InChIKeyQXEAHFSJQPMFBP-UHFFFAOYSA-N
XLogP3.28
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
4-[(2-fluorophenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060757
3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 149481631
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide
CID 17480377
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 1090581
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
CID 147469704
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 4882339) is 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is QXEAHFSJQPMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3S/c21-18-11-17(8-9-19(18)22)29(27,28)25-12-14-4-6-15(7-5-14)20(26)24-13-16-3-1-2-10-23-16/h1-11,25H,12-13H2,(H,24,26).
What are the key properties of 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 433.89 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 4882339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).