N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide

C15H15ClN2O2S — CID 61302979

IUPACN-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide
SMILESNc1ccc(NC(=O)CCS(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O2S/c16-11-1-7-14(8-2-11)21(20)10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10,17H2,(H,18,19)
InChIKeyYGAFTROUOBRGRX-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.06
Rot. Bonds5

About N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide

N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide (PubChem CID 61302979) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide
PubChem CID61302979
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide
SMILESNc1ccc(NC(=O)CCS(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O2S/c16-11-1-7-14(8-2-11)21(20)10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10,17H2,(H,18,19)
InChIKeyYGAFTROUOBRGRX-UHFFFAOYSA-N
XLogP3.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide
CID 61303387
N-(4-aminophenyl)-4-methylsulfinylbutanamide
CID 61288283
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
CID 63233662
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
CID 61302398
3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide
CID 95778337
N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61301611
N-(4-aminophenyl)-4-pentylsulfinylbutanamide
CID 107753588
N-(4-chlorophenyl)-4,4,4-trifluorobutanamide
CID 155941225

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide?
The IUPAC name of N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide (CID 61302979) is N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide is Nc1ccc(NC(=O)CCS(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide?
The InChIKey is YGAFTROUOBRGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-11-1-7-14(8-2-11)21(20)10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide?
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide has a molecular weight of 322.82 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide is sourced from PubChem (CID 61302979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).