N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide

C16H16F2N2O3S — CID 94618454

IUPACN-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O3S/c1-11(21)19-9-8-12-2-5-14(6-3-12)24(22,23)20-16-7-4-13(17)10-15(16)18/h2-7,10,20H,8-9H2,1H3,(H,19,21)
InChIKeyMFESCYXDWFSVRB-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.44
Rot. Bonds6

About N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide

N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide (PubChem CID 94618454) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide
PubChem CID94618454
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC NameN-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O3S/c1-11(21)19-9-8-12-2-5-14(6-3-12)24(22,23)20-16-7-4-13(17)10-15(16)18/h2-7,10,20H,8-9H2,1H3,(H,19,21)
InChIKeyMFESCYXDWFSVRB-UHFFFAOYSA-N
XLogP2.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618182
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199
4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide
CID 109057942
N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide
CID 2974906
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078
4-[(2,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058529
4-(2-acetamidoethyl)benzenesulfonic acid;hydrochloride
CID 174437007
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3314659
N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
CID 8500802
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide (CID 94618454) is N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide?
The InChIKey is MFESCYXDWFSVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-11(21)19-9-8-12-2-5-14(6-3-12)24(22,23)20-16-7-4-13(17)10-15(16)18/h2-7,10,20H,8-9H2,1H3,(H,19,21).
What are the key properties of N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide?
N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide has a molecular weight of 354.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 94618454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).