2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide

C14H10ClFN2O3S — CID 7501336

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H10ClFN2O3S/c15-9-1-4-11(5-2-9)22-8-14(19)17-13-7-10(18(20)21)3-6-12(13)16/h1-7H,8H2,(H,17,19)
InChIKeyIBPSYZMTJKFSBK-UHFFFAOYSA-N
MW340.76 g/mol
LogP4.12
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide (PubChem CID 7501336) has the molecular formula C14H10ClFN2O3S and a molecular weight of 340.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
PubChem CID7501336
Molecular FormulaC14H10ClFN2O3S
Molecular Weight340.76 g/mol
Exact Mass340.01
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H10ClFN2O3S/c15-9-1-4-11(5-2-9)22-8-14(19)17-13-7-10(18(20)21)3-6-12(13)16/h1-7H,8H2,(H,17,19)
InChIKeyIBPSYZMTJKFSBK-UHFFFAOYSA-N
XLogP4.12
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 54.12
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

N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26360934
N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467427
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7963617
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8680444
N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 18077302
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343
N-(2-chloro-5-nitrophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591556

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide (CID 7501336) is 2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide is O=C(CSc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide?
The InChIKey is IBPSYZMTJKFSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3S/c15-9-1-4-11(5-2-9)22-8-14(19)17-13-7-10(18(20)21)3-6-12(13)16/h1-7H,8H2,(H,17,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide has a molecular weight of 340.76 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 7501336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).