N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide

C16H16ClFN2O3S — CID 47075268

IUPACN-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16ClFN2O3S/c1-20(12-4-6-13(7-5-12)24(2,22)23)10-16(21)19-11-3-8-15(18)14(17)9-11/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeySSUQJYVDQDSYKJ-UHFFFAOYSA-N
MW370.83 g/mol
LogP2.96
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide (PubChem CID 47075268) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide
PubChem CID47075268
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16ClFN2O3S/c1-20(12-4-6-13(7-5-12)24(2,22)23)10-16(21)19-11-3-8-15(18)14(17)9-11/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeySSUQJYVDQDSYKJ-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113152949
N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide
CID 30329958
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 45374381
N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143620
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034449
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157653
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9418661
N-(3-chloro-4-fluorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30267320
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149526
N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771339

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide (CID 47075268) is N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide is CN(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide?
The InChIKey is SSUQJYVDQDSYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-20(12-4-6-13(7-5-12)24(2,22)23)10-16(21)19-11-3-8-15(18)14(17)9-11/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide has a molecular weight of 370.83 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide is sourced from PubChem (CID 47075268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).