N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

C16H16ClFN2O3S — CID 3358994

IUPACN-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16ClFN2O3S/c1-11-3-4-12(17)9-15(11)19-16(21)10-20(24(2,22)23)14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyDKIYVZRUZNTSEM-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.19
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 3358994) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID3358994
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16ClFN2O3S/c1-11-3-4-12(17)9-15(11)19-16(21)10-20(24(2,22)23)14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyDKIYVZRUZNTSEM-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173354
N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342538
N-(5-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978401
N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30265111
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1102314
N-(5-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1006755
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109
N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 3910967
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2990028
N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283214
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 126132614

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (CID 3358994) is N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is Cc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is DKIYVZRUZNTSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-11-3-4-12(17)9-15(11)19-16(21)10-20(24(2,22)23)14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 370.83 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3358994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).