(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide

C15H12Cl2N2O3S — CID 7847873

IUPAC(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
SMILESC[C@@H](Sc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12Cl2N2O3S/c1-9(23-14-10(16)5-4-6-11(14)17)15(20)18-12-7-2-3-8-13(12)19(21)22/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyGYKLWIQLGYRPRA-SECBINFHSA-N
MW371.25 g/mol
LogP5.02
Rot. Bonds5

About (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide

(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide (PubChem CID 7847873) has the molecular formula C15H12Cl2N2O3S and a molecular weight of 371.25 g/mol. Its IUPAC name is (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
PubChem CID7847873
Molecular FormulaC15H12Cl2N2O3S
Molecular Weight371.25 g/mol
Exact Mass369.99
IUPAC Name(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
SMILESC[C@@H](Sc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12Cl2N2O3S/c1-9(23-14-10(16)5-4-6-11(14)17)15(20)18-12-7-2-3-8-13(12)19(21)22/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyGYKLWIQLGYRPRA-SECBINFHSA-N
XLogP5.02
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.25
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 8680581
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
CID 7466949
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 7397774
(2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide
CID 7793144
(2S)-N-(2-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 7795583
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide
CID 8580257
(2S)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196767
(2R)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196768
2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide
CID 47115195
(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847766
(2R)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide
CID 7263031
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7743647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide (CID 7847873) is (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide is C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide?
The InChIKey is GYKLWIQLGYRPRA-SECBINFHSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3S/c1-9(23-14-10(16)5-4-6-11(14)17)15(20)18-12-7-2-3-8-13(12)19(21)22/h2-9H,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide?
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide has a molecular weight of 371.25 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 7847873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).