N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide

C15H15ClN2O2S — CID 61303594

IUPACN-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide
SMILESCC(C(=O)Nc1cccc(N)c1)S(=O)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2S/c1-10(21(20)14-8-3-2-7-13(14)16)15(19)18-12-6-4-5-11(17)9-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyTUFAMEJGMNACEX-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.06
Rot. Bonds4

About N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide

N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide (PubChem CID 61303594) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide
PubChem CID61303594
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide
SMILESCC(C(=O)Nc1cccc(N)c1)S(=O)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2S/c1-10(21(20)14-8-3-2-7-13(14)16)15(19)18-12-6-4-5-11(17)9-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyTUFAMEJGMNACEX-UHFFFAOYSA-N
XLogP3.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.06
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-amino-N-(3-aminophenyl)propanamide
CID 110478892
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
2-(2-fluorophenyl)sulfinyl-N-phenylpropanamide
CID 63792456
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide
CID 43479667
2-(3-aminophenyl)sulfinyl-N-methylpropanamide
CID 81181250
N-(3-aminophenyl)-3-chloro-2-methylbenzamide
CID 110484087
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide?
The IUPAC name of N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide (CID 61303594) is N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide is CC(C(=O)Nc1cccc(N)c1)S(=O)c1ccccc1Cl.
What is the InChIKey of N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide?
The InChIKey is TUFAMEJGMNACEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10(21(20)14-8-3-2-7-13(14)16)15(19)18-12-6-4-5-11(17)9-12/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide?
N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide has a molecular weight of 322.82 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide is sourced from PubChem (CID 61303594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).