N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide

C15H13ClFNO3S — CID 173273477

IUPACN-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)N(C(=O)c1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClFNO3S/c1-2-22(20,21)18(14-9-8-12(17)10-13(14)16)15(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyMNHLOFFCBPTYRQ-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.48
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide

N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide (PubChem CID 173273477) has the molecular formula C15H13ClFNO3S and a molecular weight of 341.79 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide
PubChem CID173273477
Molecular FormulaC15H13ClFNO3S
Molecular Weight341.79 g/mol
Exact Mass341.03
IUPAC NameN-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)N(C(=O)c1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClFNO3S/c1-2-22(20,21)18(14-9-8-12(17)10-13(14)16)15(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyMNHLOFFCBPTYRQ-UHFFFAOYSA-N
XLogP3.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-(methylsulfonyl)benzamide
CID 2747545
N-(2-chlorophenyl)-3-fluorobenzamide
CID 242883
N-(2-chlorophenyl)-2-[(methylsulfonyl)amino]benzamide
CID 848432
N-(2-chlorophenyl)-3-{[ethyl(phenyl)amino]sulfonyl}-4-fluorobenzamide
CID 4216298
N-(2-chloro-4-sulfamoyl-phenyl)-2,3,4,5,6-pentafluoro-benzamide
CID 10549020
N-(2-chloro-4-sulfamoyl-phenyl)-2,3,5,6-tetrafluoro-benzamide
CID 11361075
N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
CID 109061586
N-[4-(aminosulfonyl)phenyl]-2-chloro-6-fluorobenzamide
CID 2814184
N-[2-chloro-5-[(2-fluorophenyl)sulfamoyl]phenyl]-2,4-difluorobenzamide
CID 3543799
4-Chloro-N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-phenylbenzamide
CID 2856807
N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 1298165
N-(2-chlorophenyl)-3-[(dimethylamino)sulfonyl]benzamide
CID 2221813

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide (CID 173273477) is N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide is CCS(=O)(=O)N(C(=O)c1ccccc1)c1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide?
The InChIKey is MNHLOFFCBPTYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3S/c1-2-22(20,21)18(14-9-8-12(17)10-13(14)16)15(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide?
N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide has a molecular weight of 341.79 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-N-ethylsulfonylbenzamide is sourced from PubChem (CID 173273477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).