2-(2-nitrophenyl)sulfanylbenzamide

C13H10N2O3S — CID 2728704

IUPAC2-(2-nitrophenyl)sulfanylbenzamide
SMILESNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3S/c14-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)15(17)18/h1-8H,(H2,14,16)
InChIKeyLGXNXBCKFYBGPD-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.84
Rot. Bonds4

About 2-(2-nitrophenyl)sulfanylbenzamide

2-(2-nitrophenyl)sulfanylbenzamide (PubChem CID 2728704) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(2-nitrophenyl)sulfanylbenzamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)sulfanylbenzamide
PubChem CID2728704
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name2-(2-nitrophenyl)sulfanylbenzamide
SMILESNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3S/c14-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)15(17)18/h1-8H,(H2,14,16)
InChIKeyLGXNXBCKFYBGPD-UHFFFAOYSA-N
XLogP2.84
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)sulfanylbenzamide?
The IUPAC name of 2-(2-nitrophenyl)sulfanylbenzamide (CID 2728704) is 2-(2-nitrophenyl)sulfanylbenzamide.
What is the SMILES notation for 2-(2-nitrophenyl)sulfanylbenzamide?
The canonical SMILES for 2-(2-nitrophenyl)sulfanylbenzamide is NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)sulfanylbenzamide?
The InChIKey is LGXNXBCKFYBGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c14-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)15(17)18/h1-8H,(H2,14,16).
What are the key properties of 2-(2-nitrophenyl)sulfanylbenzamide?
2-(2-nitrophenyl)sulfanylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)sulfanylbenzamide is sourced from PubChem (CID 2728704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).