N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide

C14H12F2N2O2S — CID 61301651

IUPACN-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
SMILESNc1ccc(F)c(NC(=O)CS(=O)c2ccccc2F)c1
InChIInChI=1S/C14H12F2N2O2S/c15-10-6-5-9(17)7-12(10)18-14(19)8-21(20)13-4-2-1-3-11(13)16/h1-7H,8,17H2,(H,18,19)
InChIKeyRVBFAHBLOLNDSW-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.29
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide

N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide (PubChem CID 61301651) has the molecular formula C14H12F2N2O2S and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
PubChem CID61301651
Molecular FormulaC14H12F2N2O2S
Molecular Weight310.32 g/mol
Exact Mass310.06
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
SMILESNc1ccc(F)c(NC(=O)CS(=O)c2ccccc2F)c1
InChIInChI=1S/C14H12F2N2O2S/c15-10-6-5-9(17)7-12(10)18-14(19)8-21(20)13-4-2-1-3-11(13)16/h1-7H,8,17H2,(H,18,19)
InChIKeyRVBFAHBLOLNDSW-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.29
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-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide
CID 61286626
2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
CID 81192912
N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61287855
N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide
CID 61287005
N-(5-amino-2-fluorophenyl)-2-phenylmethoxyacetamide
CID 16785782
N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
CID 81320395
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81184334
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81191402
N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-bromophenyl)acetamide
CID 81184638

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide (CID 61301651) is N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide is Nc1ccc(F)c(NC(=O)CS(=O)c2ccccc2F)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide?
The InChIKey is RVBFAHBLOLNDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2S/c15-10-6-5-9(17)7-12(10)18-14(19)8-21(20)13-4-2-1-3-11(13)16/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide?
N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide has a molecular weight of 310.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide is sourced from PubChem (CID 61301651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).