2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide

C14H13FN2O2S — CID 81192912

IUPAC2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
SMILESNc1ccc(S(=O)CC(=O)Nc2ccccc2)c(F)c1
InChIInChI=1S/C14H13FN2O2S/c15-12-8-10(16)6-7-13(12)20(19)9-14(18)17-11-4-2-1-3-5-11/h1-8H,9,16H2,(H,17,18)
InChIKeyWMOMTWFDKHHNEN-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.15
Rot. Bonds4

About 2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide

2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide (PubChem CID 81192912) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
PubChem CID81192912
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
SMILESNc1ccc(S(=O)CC(=O)Nc2ccccc2)c(F)c1
InChIInChI=1S/C14H13FN2O2S/c15-12-8-10(16)6-7-13(12)20(19)9-14(18)17-11-4-2-1-3-5-11/h1-8H,9,16H2,(H,17,18)
InChIKeyWMOMTWFDKHHNEN-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.15
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

2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-bromophenyl)acetamide
CID 81184638
2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide
CID 81184637
N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61301651
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81191932
2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 82839190
N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
CID 81320395
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825
4-(2,2-difluoro-2-phenylethyl)sulfinyl-3-fluoroaniline
CID 116790932
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide
CID 61289994
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81184334

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide (CID 81192912) is 2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide is Nc1ccc(S(=O)CC(=O)Nc2ccccc2)c(F)c1.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide?
The InChIKey is WMOMTWFDKHHNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-12-8-10(16)6-7-13(12)20(19)9-14(18)17-11-4-2-1-3-5-11/h1-8H,9,16H2,(H,17,18).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide?
2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide has a molecular weight of 292.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide is sourced from PubChem (CID 81192912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).