2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide

C14H11ClN2O4S — CID 112771769

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H11ClN2O4S/c15-10-3-1-2-4-13(10)22-8-14(19)16-11-7-9(17(20)21)5-6-12(11)18/h1-7,18H,8H2,(H,16,19)
InChIKeyRUYLVYWEOPLRMZ-UHFFFAOYSA-N
MW338.77 g/mol
LogP3.68
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide (PubChem CID 112771769) has the molecular formula C14H11ClN2O4S and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide
PubChem CID112771769
Molecular FormulaC14H11ClN2O4S
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H11ClN2O4S/c15-10-3-1-2-4-13(10)22-8-14(19)16-11-7-9(17(20)21)5-6-12(11)18/h1-7,18H,8H2,(H,16,19)
InChIKeyRUYLVYWEOPLRMZ-UHFFFAOYSA-N
XLogP3.68
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 3313199
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7870436
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 2498766
2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 126187085
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775
2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771738
N-(2-chloro-5-nitrophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 17359160
2-(2-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103602366

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide (CID 112771769) is 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide is O=C(CSc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide?
The InChIKey is RUYLVYWEOPLRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S/c15-10-3-1-2-4-13(10)22-8-14(19)16-11-7-9(17(20)21)5-6-12(11)18/h1-7,18H,8H2,(H,16,19).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide has a molecular weight of 338.77 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 112771769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).