N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide

C16H16ClFN2O3S — CID 27005558

IUPACN-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H16ClFN2O3S/c1-24(22,23)19-9-8-11-2-4-12(5-3-11)16(21)20-15-7-6-13(18)10-14(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyWXYPMFXIYWBRND-UHFFFAOYSA-N
MW370.83 g/mol
LogP2.82
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide

N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 27005558) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID27005558
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H16ClFN2O3S/c1-24(22,23)19-9-8-11-2-4-12(5-3-11)16(21)20-15-7-6-13(18)10-14(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyWXYPMFXIYWBRND-UHFFFAOYSA-N
XLogP2.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005483
N-(2,5-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17457009
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481
N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 22109501
4-[2-(methanesulfonamido)ethyl]-N-(4-propan-2-ylphenyl)benzamide
CID 27007439
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide
CID 107528464
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
CID 7131893
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4810789
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide (CID 27005558) is N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide is CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is WXYPMFXIYWBRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-24(22,23)19-9-8-11-2-4-12(5-3-11)16(21)20-15-7-6-13(18)10-14(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 370.83 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 27005558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).