2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide

C15H14ClFN2O3S — CID 53283727

IUPAC2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-23(21,22)19-12-5-6-14(16)13(8-12)15(20)18-9-10-3-2-4-11(17)7-10/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyLUNIMJUMBJKUGW-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.78
Rot. Bonds5

About 2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide

2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide (PubChem CID 53283727) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
PubChem CID53283727
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-23(21,22)19-12-5-6-14(16)13(8-12)15(20)18-9-10-3-2-4-11(17)7-10/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyLUNIMJUMBJKUGW-UHFFFAOYSA-N
XLogP2.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953
2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide
CID 28635620
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
2-chloro-N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772238
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 46453145
5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114922058
2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide
CID 43909164
2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
CID 53283791
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide (CID 53283727) is 2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide?
The InChIKey is LUNIMJUMBJKUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c1-23(21,22)19-12-5-6-14(16)13(8-12)15(20)18-9-10-3-2-4-11(17)7-10/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide?
2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide has a molecular weight of 356.81 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide is sourced from PubChem (CID 53283727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).