4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide

C17H11N3O6S — CID 15365079

IUPAC4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide
SMILESNC(=O)c1cc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2c1O
InChIInChI=1S/C17H11N3O6S/c18-17(22)12-8-15(10-3-1-2-4-11(10)16(12)21)27-14-6-5-9(19(23)24)7-13(14)20(25)26/h1-8,21H,(H2,18,22)
InChIKeyDOYRQWYTPXASEG-UHFFFAOYSA-N
MW385.36 g/mol
LogP3.61
Rot. Bonds5

About 4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide

4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide (PubChem CID 15365079) has the molecular formula C17H11N3O6S and a molecular weight of 385.36 g/mol. Its IUPAC name is 4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide
PubChem CID15365079
Molecular FormulaC17H11N3O6S
Molecular Weight385.36 g/mol
Exact Mass385.04
IUPAC Name4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide
SMILESNC(=O)c1cc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2c1O
InChIInChI=1S/C17H11N3O6S/c18-17(22)12-8-15(10-3-1-2-4-11(10)16(12)21)27-14-6-5-9(19(23)24)7-13(14)20(25)26/h1-8,21H,(H2,18,22)
InChIKeyDOYRQWYTPXASEG-UHFFFAOYSA-N
XLogP3.61
TPSA149.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide
CID 62026502
2-(4-carbamoyl-2-nitrophenyl)sulfanylbenzoic acid
CID 5239281
1-[2-(2,4-dinitrophenyl)sulfanylphenyl]-3-naphthalen-1-ylurea
CID 5218625
benzhydryl 2-(2,4-dinitrophenyl)sulfanylbenzoate
CID 126185615
1-(2,4-dinitrophenyl)sulfanyl-4-phenylphthalazine
CID 9334816
4-(2-nitrophenyl)sulfanylnaphthalen-1-ol
CID 23239241
S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride
CID 175558039
1-(1-hydroxy-4-nitronaphthalen-2-yl)ethanone
CID 121011643
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
2-(2-methyl-5-nitrophenyl)sulfanylbenzoic acid
CID 46867676
(2,4-dinitrophenyl)sulfanyl benzoate
CID 154123636
(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone
CID 11580100

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide (CID 15365079) is 4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide is NC(=O)c1cc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2c1O.
What is the InChIKey of 4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is DOYRQWYTPXASEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O6S/c18-17(22)12-8-15(10-3-1-2-4-11(10)16(12)21)27-14-6-5-9(19(23)24)7-13(14)20(25)26/h1-8,21H,(H2,18,22).
What are the key properties of 4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide?
4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 385.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dinitrophenyl)sulfanyl-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 15365079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).