N-(4-acetylphenyl)methanesulfonamide

HCID 684083
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Basic information

CAS
5317-89-5
Standard SMILES
CC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIKey
BQBFGIIQPXLTKM-UHFFFAOYSA-N
Molecular formula
C9H11NO3S
Average molar mass
213.26 g/mol
Monoisotopic mass
213.04596439

Names & identifiers

Preferred name
N-(4-acetylphenyl)methanesulfonamide
IUPAC
N-(4-acetylphenyl)methanesulfonamide
English name
N-(4-Acetyl-phenyl)-methanesulfon-amide
Molecular formula
C9H11NO3S
Molecular weight
213.25

Names & synonyms

N-(4-acetylphenyl)methanesulfonamide5317-89-5DTXSID90350607RefChem:827085DTXCID90301674637-303-8MFCD00159342N-(4-Acetyl-phenyl)-methanesulfon-amide4'-acetylmethanesulfonanilideSCHEMBL4624606SCHEMBL5415993CHEMBL5276553
Show more names
AURORA 2940N-(4-Acetylphenyl)N-(4-ethanoylphenyl)methanesulfonamideMethanesulfonamide, N-(4-acetylphenyl)-
BQBFGIIQPXLTKM-UHFFFAOYSA-NALBB-0029874'-(Methylsulfonylamino)acetophenoneCCG-52886STK501218N-(4-acetyl-phenyl)methanesulfonamideAKOS000167466DS-3007

Database identifiers

CAS
5317-89-5
PubChem CID
684083
DTXSID
DTXSID90350607
ChEMBL
CHEMBL5276553
EC Number
637-303-8
Nikkaji
J1.711.924I

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
71.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
150 · 150-152 °C
Boiling point
369.4 · 369.4±44.0 °C(Predicted)
Density
1.32 · 1.320±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
7.16 · 7.16±0.10(Predicted)
Appearance
White to light yellow Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers39 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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