4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide

C13H10N2O4S — CID 62026502

IUPAC4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide
SMILESNC(=O)c1ccc(Sc2ccccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O4S/c14-13(17)8-5-6-11(9(7-8)15(18)19)20-12-4-2-1-3-10(12)16/h1-7,16H,(H2,14,17)
InChIKeyZVUZYTMZHHMOPE-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.55
Rot. Bonds4

About 4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide

4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide (PubChem CID 62026502) has the molecular formula C13H10N2O4S and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide
PubChem CID62026502
Molecular FormulaC13H10N2O4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC Name4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide
SMILESNC(=O)c1ccc(Sc2ccccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O4S/c14-13(17)8-5-6-11(9(7-8)15(18)19)20-12-4-2-1-3-10(12)16/h1-7,16H,(H2,14,17)
InChIKeyZVUZYTMZHHMOPE-UHFFFAOYSA-N
XLogP2.55
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(4-carbamoyl-2-nitrophenyl)sulfanylbenzoic acid
CID 5239281
2-(4-methyl-2-nitrophenyl)sulfanylphenol
CID 62027442
2-(4-iodo-2-nitrophenyl)sulfanylphenol
CID 66082508
4-(4-bromophenyl)sulfanyl-3-nitrobenzamide
CID 9283449
2-(4-methylsulfonyl-2-nitrophenyl)sulfanylphenol
CID 62028778
4-(2-methylphenyl)sulfanyl-3-nitrobenzoic acid
CID 1249086
4-(2-anilino-2-oxoethyl)sulfanyl-3-nitrobenzamide
CID 26913557
N'-hydroxy-4-(2-methylphenyl)sulfanyl-3-nitrobenzenecarboximidamide
CID 76935026
2-(5-bromo-2-nitrophenyl)sulfanylphenol
CID 65343073
4-[2-(benzylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 4844598
3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol
CID 10659193
4-(4-methyl-2-nitrophenyl)sulfanylbenzamide
CID 67249721

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide?
The IUPAC name of 4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide (CID 62026502) is 4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide?
The canonical SMILES for 4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide is NC(=O)c1ccc(Sc2ccccc2O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide?
The InChIKey is ZVUZYTMZHHMOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S/c14-13(17)8-5-6-11(9(7-8)15(18)19)20-12-4-2-1-3-10(12)16/h1-7,16H,(H2,14,17).
What are the key properties of 4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide?
4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide has a molecular weight of 290.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide is sourced from PubChem (CID 62026502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).