4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide

C25H21N3O6S — CID 16961056

IUPAC4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H21N3O6S/c1-16(19-7-6-17-4-2-3-5-20(17)14-19)26-25(30)18-8-10-21(11-9-18)27-35(33,34)22-12-13-24(29)23(15-22)28(31)32/h2-16,27,29H,1H3,(H,26,30)
InChIKeyFUBNWHPBRAWDOY-UHFFFAOYSA-N
MW491.53 g/mol
LogP4.75
Rot. Bonds7

About 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide

4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide (PubChem CID 16961056) has the molecular formula C25H21N3O6S and a molecular weight of 491.53 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide
PubChem CID16961056
Molecular FormulaC25H21N3O6S
Molecular Weight491.53 g/mol
Exact Mass491.12
IUPAC Name4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H21N3O6S/c1-16(19-7-6-17-4-2-3-5-20(17)14-19)26-25(30)18-8-10-21(11-9-18)27-35(33,34)22-12-13-24(29)23(15-22)28(31)32/h2-16,27,29H,1H3,(H,26,30)
InChIKeyFUBNWHPBRAWDOY-UHFFFAOYSA-N
XLogP4.75
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(methylsulfamoyl)-N-(1-naphthalen-2-ylethyl)benzamide
CID 51220036
N-(4-butan-2-ylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 43001005
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 43012060
4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]benzamide
CID 16961071
4-hydroxy-3-nitro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 31580529
4-methoxy-N-[(1S)-1-naphthalen-2-ylethyl]-3-nitrobenzamide
CID 7733620
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
4-(phenylsulfamoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446308
4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446305
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-(4-ethylsulfonylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 30180860
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide?
The IUPAC name of 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide (CID 16961056) is 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide.
What is the SMILES notation for 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide?
The canonical SMILES for 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide is CC(NC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide?
The InChIKey is FUBNWHPBRAWDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O6S/c1-16(19-7-6-17-4-2-3-5-20(17)14-19)26-25(30)18-8-10-21(11-9-18)27-35(33,34)22-12-13-24(29)23(15-22)28(31)32/h2-16,27,29H,1H3,(H,26,30).
What are the key properties of 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide?
4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide has a molecular weight of 491.53 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-naphthalen-2-ylethyl)benzamide is sourced from PubChem (CID 16961056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).