N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide

C15H15FN2O2S — CID 81320395

IUPACN-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
SMILESNCc1ccc(NC(=O)CS(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O2S/c16-13-3-1-2-4-14(13)21(20)10-15(19)18-12-7-5-11(9-17)6-8-12/h1-8H,9-10,17H2,(H,18,19)
InChIKeyOBLDBIJEPWVBPW-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.03
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide

N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide (PubChem CID 81320395) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
PubChem CID81320395
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
SMILESNCc1ccc(NC(=O)CS(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O2S/c16-13-3-1-2-4-14(13)21(20)10-15(19)18-12-7-5-11(9-17)6-8-12/h1-8H,9-10,17H2,(H,18,19)
InChIKeyOBLDBIJEPWVBPW-UHFFFAOYSA-N
XLogP2.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide
CID 81329238
2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
CID 81192912
N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide
CID 81329339
N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide
CID 81328118
N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61301651
2-[(R)-(2-fluorophenyl)sulfinyl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 97063129
2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 71917075
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide
CID 81191944
N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 110483778
N-cyclohexyl-2-(2-fluorophenyl)sulfinylacetamide
CID 63792281
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide (CID 81320395) is N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide is NCc1ccc(NC(=O)CS(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide?
The InChIKey is OBLDBIJEPWVBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-13-3-1-2-4-14(13)21(20)10-15(19)18-12-7-5-11(9-17)6-8-12/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide?
N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide has a molecular weight of 306.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide is sourced from PubChem (CID 81320395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).