N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide

C13H9ClN2O3S — CID 3022655

IUPACN-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide
SMILESO=CNc1cc(Cl)ccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClN2O3S/c14-9-5-6-12(10(7-9)15-8-17)20-13-4-2-1-3-11(13)16(18)19/h1-8H,(H,15,17)
InChIKeyFGVZIFXHZPTHER-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.97
Rot. Bonds5

About N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide

N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide (PubChem CID 3022655) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide
PubChem CID3022655
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC NameN-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide
SMILESO=CNc1cc(Cl)ccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClN2O3S/c14-9-5-6-12(10(7-9)15-8-17)20-13-4-2-1-3-11(13)16(18)19/h1-8H,(H,15,17)
InChIKeyFGVZIFXHZPTHER-UHFFFAOYSA-N
XLogP3.97
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-
CID 23116
2-(4-Chloro-2-nitro-phenylsulfanyl)-phenylamine
CID 2807179
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CID 14531504
3-(4-Chloro-2-nitrophenyl)sulfanylaniline
CID 10802745
2-Acetamidophenyl 5-chloro-2-nitrophenyl sulfide
CID 101886690
Aniline, N-(((p-chlorophenyl)thio)methyl)-m-nitro-
CID 51970
N-[4-(4-chloro-2-nitrophenyl)sulfanylphenyl]acetamide
CID 9112063
N-[4-(2-chloro-4-nitrophenyl)sulfanylphenyl]acetamide
CID 9112072
5-Chloro-2-(2-nitrophenyl)sulfanylaniline
CID 118723752
4-((4-Chloro-2-nitrophenyl)thio)piperidine hydrochloride
CID 51059938
2-[(2-Chloro-4-nitrophenyl)sulfanyl]-4-fluoro-N-methylaniline
CID 12726101
2-[(4-chlorophenyl)sulfanyl]-N-(3-nitrophenyl)acetamide
CID 886957

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide?
The IUPAC name of N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide (CID 3022655) is N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide.
What is the SMILES notation for N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide?
The canonical SMILES for N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide is O=CNc1cc(Cl)ccc1Sc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide?
The InChIKey is FGVZIFXHZPTHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c14-9-5-6-12(10(7-9)15-8-17)20-13-4-2-1-3-11(13)16(18)19/h1-8H,(H,15,17).
What are the key properties of N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide?
N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide has a molecular weight of 308.75 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide is sourced from PubChem (CID 3022655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).