N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

C20H16ClFN2O3S — CID 2333220

IUPACN-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O3S/c21-15-5-3-4-14(12-15)13-23-20(25)18-6-1-2-7-19(18)24-28(26,27)17-10-8-16(22)9-11-17/h1-12,24H,13H2,(H,23,25)
InChIKeyKWZCOEMBWCCSKB-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.21
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 2333220) has the molecular formula C20H16ClFN2O3S and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID2333220
Molecular FormulaC20H16ClFN2O3S
Molecular Weight418.88 g/mol
Exact Mass418.06
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O3S/c21-15-5-3-4-14(12-15)13-23-20(25)18-6-1-2-7-19(18)24-28(26,27)17-10-8-16(22)9-11-17/h1-12,24H,13H2,(H,23,25)
InChIKeyKWZCOEMBWCCSKB-UHFFFAOYSA-N
XLogP4.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
CID 46529076
N-[(3-chlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 46101926
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 46546770
2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46477862
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (CID 2333220) is N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is O=C(NCc1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is KWZCOEMBWCCSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3S/c21-15-5-3-4-14(12-15)13-23-20(25)18-6-1-2-7-19(18)24-28(26,27)17-10-8-16(22)9-11-17/h1-12,24H,13H2,(H,23,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 418.88 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2333220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).