N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide

C14H10Cl2N2O3S — CID 3313199

IUPACN-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H10Cl2N2O3S/c15-10-6-5-9(18(20)21)7-12(10)17-14(19)8-22-13-4-2-1-3-11(13)16/h1-7H,8H2,(H,17,19)
InChIKeyKREDTZYIZLFXPH-UHFFFAOYSA-N
MW357.22 g/mol
LogP4.63
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide

N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide (PubChem CID 3313199) has the molecular formula C14H10Cl2N2O3S and a molecular weight of 357.22 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
PubChem CID3313199
Molecular FormulaC14H10Cl2N2O3S
Molecular Weight357.22 g/mol
Exact Mass355.98
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H10Cl2N2O3S/c15-10-6-5-9(18(20)21)7-12(10)17-14(19)8-22-13-4-2-1-3-11(13)16/h1-7H,8H2,(H,17,19)
InChIKeyKREDTZYIZLFXPH-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

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CID 112771769
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CID 17359160
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7870436
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-[2-(2-chloro-5-nitroanilino)-2-oxoethyl]sulfanylacetic acid
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CID 2591556
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 2498766
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 126187085
N-(2-chloro-5-nitrophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 27139007

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide (CID 3313199) is N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide is O=C(CSc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The InChIKey is KREDTZYIZLFXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3S/c15-10-6-5-9(18(20)21)7-12(10)17-14(19)8-22-13-4-2-1-3-11(13)16/h1-7H,8H2,(H,17,19).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide?
N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)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-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 3313199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).