N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide

C14H12ClFN2O2S — CID 61301818

IUPACN-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
SMILESNc1cc(Cl)ccc1NC(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12ClFN2O2S/c15-9-1-6-13(12(17)7-9)18-14(19)8-21(20)11-4-2-10(16)3-5-11/h1-7H,8,17H2,(H,18,19)
InChIKeyGUIQLPUUERWPSN-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.81
Rot. Bonds4

About N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide

N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide (PubChem CID 61301818) has the molecular formula C14H12ClFN2O2S and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
PubChem CID61301818
Molecular FormulaC14H12ClFN2O2S
Molecular Weight326.78 g/mol
Exact Mass326.03
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
SMILESNc1cc(Cl)ccc1NC(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12ClFN2O2S/c15-9-1-6-13(12(17)7-9)18-14(19)8-21(20)11-4-2-10(16)3-5-11/h1-7H,8,17H2,(H,18,19)
InChIKeyGUIQLPUUERWPSN-UHFFFAOYSA-N
XLogP2.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
CID 62646858
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide
CID 61287409
N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61301611
2-(3-chlorophenyl)sulfinyl-N-(4-fluorophenyl)acetamide
CID 71283134
N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753902
N-(2-amino-4-chlorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045441
N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide
CID 63115470
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide
CID 61304444

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide (CID 61301818) is N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide is Nc1cc(Cl)ccc1NC(=O)CS(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide?
The InChIKey is GUIQLPUUERWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2S/c15-9-1-6-13(12(17)7-9)18-14(19)8-21(20)11-4-2-10(16)3-5-11/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide?
N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide has a molecular weight of 326.78 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide is sourced from PubChem (CID 61301818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).