N-(4-hydroxyphenyl)-4-nitrobenzenesulfonamide

HCID 352935
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Basic information

CAS
50994-51-9
Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChIKey
NBGPHTAKUGGRHL-UHFFFAOYSA-N
Molecular formula
C12H10N2O5S
Average molar mass
294.29 g/mol
Monoisotopic mass
294.03104242

Names & identifiers

Preferred name
N-(4-hydroxyphenyl)-4-nitrobenzenesulfonamide
IUPAC
N-(4-hydroxyphenyl)-4-nitrobenzenesulfonamide
English name
Benzenesulfonamide,N-(4-hydroxyphenyl)-4-nitro-
Molecular formula
C12H10N2O5S
Molecular weight
294.28

Names & synonyms

N-(4-hydroxyphenyl)-4-nitrobenzenesulfonamide50994-51-9MFCD00518056N-(4-hydroxyphenyl)-4-nitrobenzene-1-sulfonamideBenzenesulfonamide, N-(4-hydroxyphenyl)-4-nitro-NSC529157N-(4-hydroxyphenyl)-4-nitro-benzenesulfonamideOprea1_309347Oprea1_565801SCHEMBL11442412DTXSID60326490NBGPHTAKUGGRHL-UHFFFAOYSA-N
Show more names
Benzenesulfonamide,N-(4-hydroxyphenyl)-4-nitro-
ALBB-023206STK396667AKOS000668689NSC-529157SB824554-[(4-Nitrophenyl)sulfonyl]aminophenolLS-07262DS-010293

Database identifiers

CAS
50994-51-9
PubChem CID
352935
DTXSID
DTXSID60326490

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
121 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20

Physicochemical properties

Melting point
186 °C · 186 °C(Solv: acetic acid (64-19-7))
Boiling point
522.7 · 522.7±60.0 °C(Predicted)
Density
1.558 · 1.558±0.06 g/cm3(Predicted)
pka
8.45 · 8.45±0.10(Predicted)

Chemistry & industry

Suppliers2 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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