N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide

C14H10Cl2N2O3S — CID 26086204

IUPACN-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O3S/c15-9-1-6-12(16)13(7-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyQIZTVSJQHLGUND-UHFFFAOYSA-N
MW357.22 g/mol
LogP4.63
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide

N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 26086204) has the molecular formula C14H10Cl2N2O3S and a molecular weight of 357.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID26086204
Molecular FormulaC14H10Cl2N2O3S
Molecular Weight357.22 g/mol
Exact Mass355.98
IUPAC NameN-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O3S/c15-9-1-6-12(16)13(7-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyQIZTVSJQHLGUND-UHFFFAOYSA-N
XLogP4.63
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 54.63
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

2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
N-(2-chloro-5-nitrophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591556
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26360934
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
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-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 46458024
2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 24639839
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
N-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22778284
2-[2-(2-chloro-5-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 112682889

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide (CID 26086204) is N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide is O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is QIZTVSJQHLGUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3S/c15-9-1-6-12(16)13(7-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 357.22 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 26086204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).