N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide

C19H17N3O5S — CID 163159500

IUPACN-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide
SMILESO=C(Nc1ccccc1)c1cc([NH+]([O-])O)cc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H17N3O5S/c23-19(20-15-7-3-1-4-8-15)14-11-17(22(24)25)13-18(12-14)28(26,27)21-16-9-5-2-6-10-16/h1-13,21-22,24H,(H,20,23)
InChIKeyQLICQKVFIXUTNU-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.14
Rot. Bonds6

About N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide

N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide (PubChem CID 163159500) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide
PubChem CID163159500
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC NameN-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide
SMILESO=C(Nc1ccccc1)c1cc([NH+]([O-])O)cc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H17N3O5S/c23-19(20-15-7-3-1-4-8-15)14-11-17(22(24)25)13-18(12-14)28(26,27)21-16-9-5-2-6-10-16/h1-13,21-22,24H,(H,20,23)
InChIKeyQLICQKVFIXUTNU-UHFFFAOYSA-N
XLogP2.14
TPSA123.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638196
3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 4100122
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
barium(2+);bis(3-(phenylcarbamoyl)benzenesulfonate);hydrate
CID 2749173
N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
CID 26576093

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide?
The IUPAC name of N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide (CID 163159500) is N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide.
What is the SMILES notation for N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide?
The canonical SMILES for N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide is O=C(Nc1ccccc1)c1cc([NH+]([O-])O)cc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide?
The InChIKey is QLICQKVFIXUTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c23-19(20-15-7-3-1-4-8-15)14-11-17(22(24)25)13-18(12-14)28(26,27)21-16-9-5-2-6-10-16/h1-13,21-22,24H,(H,20,23).
What are the key properties of N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide?
N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide has a molecular weight of 399.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(phenylcarbamoyl)-5-(phenylsulfamoyl)benzeneamine oxide is sourced from PubChem (CID 163159500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).