N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide

C14H10ClFN2O3S — CID 3354300

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClFN2O3S/c15-12-7-9(1-6-13(12)16)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyHEVYGYFCWXTJON-UHFFFAOYSA-N
MW340.76 g/mol
LogP4.12
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide

N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 3354300) has the molecular formula C14H10ClFN2O3S and a molecular weight of 340.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID3354300
Molecular FormulaC14H10ClFN2O3S
Molecular Weight340.76 g/mol
Exact Mass340.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClFN2O3S/c15-12-7-9(1-6-13(12)16)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyHEVYGYFCWXTJON-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-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26360934
N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 55788390
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8680444
N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 9212079
2-(4-acetamidophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2080436
N-(4-chlorophenyl)-2-[methyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]acetamide
CID 9417356
N-(3-bromophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 8713877
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide (CID 3354300) is N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide is O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is HEVYGYFCWXTJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3S/c15-12-7-9(1-6-13(12)16)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-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide 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 N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 3354300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).