N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide

C15H15BrN2O2S — CID 61288025

IUPACN-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide
SMILESCC(C(=O)Nc1ccccc1N)S(=O)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-10(21(20)14-9-5-2-6-11(14)16)15(19)18-13-8-4-3-7-12(13)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyNLKWWTNSPNYVKN-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.17
Rot. Bonds4

About N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide

N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide (PubChem CID 61288025) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide
PubChem CID61288025
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide
SMILESCC(C(=O)Nc1ccccc1N)S(=O)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-10(21(20)14-9-5-2-6-11(14)16)15(19)18-13-8-4-3-7-12(13)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyNLKWWTNSPNYVKN-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.17
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-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide
CID 61302211
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
N-(2-aminophenyl)-2-butylsulfinylpropanamide
CID 61287849
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598
N-(2-aminophenyl)-2-(3-bromo-4-fluorophenoxy)propanamide
CID 83233140
2-(2-fluorophenyl)sulfinyl-N-phenylpropanamide
CID 63792456
2-(2-aminophenyl)sulfinyl-N-butylpropanamide
CID 61366897
N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;N-methoxy-2-methylpropanamide
CID 163775440
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 61366710

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide?
The IUPAC name of N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide (CID 61288025) is N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide is CC(C(=O)Nc1ccccc1N)S(=O)c1ccccc1Br.
What is the InChIKey of N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide?
The InChIKey is NLKWWTNSPNYVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10(21(20)14-9-5-2-6-11(14)16)15(19)18-13-8-4-3-7-12(13)17/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide?
N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide has a molecular weight of 367.27 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide is sourced from PubChem (CID 61288025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).