2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide

C20H15ClF2N2O3S — CID 27163581

IUPAC2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(NCc1ccccc1F)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C20H15ClF2N2O3S/c21-18-10-9-16(29(27,28)25-15-7-5-14(22)6-8-15)11-17(18)20(26)24-12-13-3-1-2-4-19(13)23/h1-11,25H,12H2,(H,24,26)
InChIKeyPTKSBQULNCSWPF-UHFFFAOYSA-N
MW436.87 g/mol
LogP4.35
Rot. Bonds6

About 2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide

2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 27163581) has the molecular formula C20H15ClF2N2O3S and a molecular weight of 436.87 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID27163581
Molecular FormulaC20H15ClF2N2O3S
Molecular Weight436.87 g/mol
Exact Mass436.05
IUPAC Name2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(NCc1ccccc1F)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C20H15ClF2N2O3S/c21-18-10-9-16(29(27,28)25-15-7-5-14(22)6-8-15)11-17(18)20(26)24-12-13-3-1-2-4-19(13)23/h1-11,25H,12H2,(H,24,26)
InChIKeyPTKSBQULNCSWPF-UHFFFAOYSA-N
XLogP4.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27537411
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286589
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000560
N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 51160726
2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid
CID 45411146
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 99956396
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 38502673
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide (CID 27163581) is 2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide is O=C(NCc1ccccc1F)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is PTKSBQULNCSWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O3S/c21-18-10-9-16(29(27,28)25-15-7-5-14(22)6-8-15)11-17(18)20(26)24-12-13-3-1-2-4-19(13)23/h1-11,25H,12H2,(H,24,26).
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide?
2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 436.87 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27163581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).