N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide

C17H16ClFN2O4S — CID 1249597

IUPACN-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H16ClFN2O4S/c1-11(22)12-4-3-5-13(8-12)20-17(23)10-21(26(2,24)25)14-6-7-16(19)15(18)9-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyIJCYDDCJBMTRAF-UHFFFAOYSA-N
MW398.84 g/mol
LogP3.09
Rot. Bonds6

About N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide

N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 1249597) has the molecular formula C17H16ClFN2O4S and a molecular weight of 398.84 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID1249597
Molecular FormulaC17H16ClFN2O4S
Molecular Weight398.84 g/mol
Exact Mass398.05
IUPAC NameN-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H16ClFN2O4S/c1-11(22)12-4-3-5-13(8-12)20-17(23)10-21(26(2,24)25)14-6-7-16(19)15(18)9-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyIJCYDDCJBMTRAF-UHFFFAOYSA-N
XLogP3.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide (CID 1249597) is N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide is CC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is IJCYDDCJBMTRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4S/c1-11(22)12-4-3-5-13(8-12)20-17(23)10-21(26(2,24)25)14-6-7-16(19)15(18)9-14/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide?
N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 398.84 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1249597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).