N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide

C12H12N2O2S — CID 21142610

IUPACN-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide
SMILES[O-][NH+](O)c1ccc(NSc2ccccc2)cc1
InChIInChI=1S/C12H12N2O2S/c15-14(16)11-8-6-10(7-9-11)13-17-12-4-2-1-3-5-12/h1-9,13-15H
InChIKeyQAKIGBRMRDEZMH-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.21
Rot. Bonds4

About N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide

N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide (PubChem CID 21142610) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide
PubChem CID21142610
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide
SMILES[O-][NH+](O)c1ccc(NSc2ccccc2)cc1
InChIInChI=1S/C12H12N2O2S/c15-14(16)11-8-6-10(7-9-11)13-17-12-4-2-1-3-5-12/h1-9,13-15H
InChIKeyQAKIGBRMRDEZMH-UHFFFAOYSA-N
XLogP2.21
TPSA59.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-4-ylsulfanylaniline
CID 154074799
N-(4-tert-butylphenyl)sulfanylaniline
CID 145226245
6-phenyl-N-phenylsulfanylpyridin-3-amine
CID 57041471
4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol
CID 143264429
2,3-dianilino-N-hydroxyquinoxalin-6-amine oxide
CID 21157381
1,1,1-trifluoro-N-phenylsulfanylmethanamine
CID 151834798
2-N-(4-anilinophenyl)-3-N-phenylsulfanylquinoxaline-2,3-diamine
CID 143442867
(Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide
CID 145360332
4,6-dichloro-N-phenylsulfanylpyridin-2-amine
CID 163248572
S-[2-oxo-2-[3-(4-phenylanilino)sulfanylphenyl]ethyl] ethanethioate
CID 143157732
phenylsulfanylurea
CID 22219022
N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfanylamino]phenyl]prop-2-ynamide
CID 142065123

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide?
The IUPAC name of N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide (CID 21142610) is N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide?
The canonical SMILES for N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide is [O-][NH+](O)c1ccc(NSc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide?
The InChIKey is QAKIGBRMRDEZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-14(16)11-8-6-10(7-9-11)13-17-12-4-2-1-3-5-12/h1-9,13-15H.
What are the key properties of N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide?
N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide has a molecular weight of 248.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide is sourced from PubChem (CID 21142610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).