N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide

C13H11N3O6S — CID 4280205

IUPACN-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide
SMILESNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C13H11N3O6S/c14-23(21,22)10-5-6-12(17)11(7-10)15-13(18)8-1-3-9(4-2-8)16(19)20/h1-7,17H,(H,15,18)(H2,14,21,22)
InChIKeyHMTZCLITYXLCLU-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.20
Rot. Bonds4

About N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide

N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide (PubChem CID 4280205) has the molecular formula C13H11N3O6S and a molecular weight of 337.31 g/mol. Its IUPAC name is N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide
PubChem CID4280205
Molecular FormulaC13H11N3O6S
Molecular Weight337.31 g/mol
Exact Mass337.04
IUPAC NameN-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide
SMILESNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C13H11N3O6S/c14-23(21,22)10-5-6-12(17)11(7-10)15-13(18)8-1-3-9(4-2-8)16(19)20/h1-7,17H,(H,15,18)(H2,14,21,22)
InChIKeyHMTZCLITYXLCLU-UHFFFAOYSA-N
XLogP1.20
TPSA152.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

2'-Hydroxy-4-nitrobenzanilide
CID 3090023
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(morpholin-4-yl)-3-nitrobenzamide
CID 5072235
N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 24979676
(E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 6295909
N-(2-hydroxyphenyl)-3-{[(2-hydroxyphenyl)amino]sulfonyl}benzamide
CID 1099210
N-{5-[(diethylamino)sulfonyl]-2-methoxyphenyl}-4-nitrobenzamide
CID 2793006
N-(2-hydroxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 16391242
N-(2-Hydroxyphenyl)-3-nitrobenzamide
CID 3728809
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide
CID 692178
3-[(4-fluoroanilino)sulfonyl]-N-(2-hydroxyphenyl)benzamide
CID 992247
N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 3929361
3-Amino-5-benzamido-4-hydroxybenzenesulphonic acid
CID 3020562

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide?
The IUPAC name of N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide (CID 4280205) is N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide is NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide?
The InChIKey is HMTZCLITYXLCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O6S/c14-23(21,22)10-5-6-12(17)11(7-10)15-13(18)8-1-3-9(4-2-8)16(19)20/h1-7,17H,(H,15,18)(H2,14,21,22).
What are the key properties of N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide?
N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide has a molecular weight of 337.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 4280205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).