3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide

C14H13FN2O2S — CID 61367289

IUPAC3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CS(=O)c2ccccc2N)c1
InChIInChI=1S/C14H13FN2O2S/c15-11-6-5-9(14(17)18)7-10(11)8-20(19)13-4-2-1-3-12(13)16/h1-7H,8,16H2,(H2,17,18)
InChIKeySJXJRQLAZYYKHN-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.81
Rot. Bonds4

About 3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide

3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide (PubChem CID 61367289) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide
PubChem CID61367289
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CS(=O)c2ccccc2N)c1
InChIInChI=1S/C14H13FN2O2S/c15-11-6-5-9(14(17)18)7-10(11)8-20(19)13-4-2-1-3-12(13)16/h1-7H,8,16H2,(H2,17,18)
InChIKeySJXJRQLAZYYKHN-UHFFFAOYSA-N
XLogP1.81
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.81
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

4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
CID 81180680
2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 61302612
4-[(4-amino-3-fluorophenyl)sulfinylmethyl]-3-fluorobenzamide
CID 81192566
4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
CID 81179968
3-[(2,5-dichlorophenyl)sulfinylmethyl]-4-fluorobenzoic acid
CID 107453506
4-[(4-amino-3-chlorophenyl)sulfinylmethyl]-3-fluorobenzamide
CID 81201890
5-bromo-2-[(2-fluorophenyl)methylsulfinyl]aniline
CID 81186079
benzene-1,2-diamine;benzene-1,3,5-tricarboxamide
CID 67830844
4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide
CID 64974498
4-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide
CID 81191234

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide?
The IUPAC name of 3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide (CID 61367289) is 3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(CS(=O)c2ccccc2N)c1.
What is the InChIKey of 3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide?
The InChIKey is SJXJRQLAZYYKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-11-6-5-9(14(17)18)7-10(11)8-20(19)13-4-2-1-3-12(13)16/h1-7H,8,16H2,(H2,17,18).
What are the key properties of 3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide?
3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide has a molecular weight of 292.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide is sourced from PubChem (CID 61367289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).