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Benzenesulfonamide, N-(5-hydroxy-1-naphthalenyl)-4-methyl-

HCID 104703
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Basic information

CAS
54179-45-2
Standard SMILES
Cc1ccc(S(=O)(=O)Nc2cccc3c(O)cccc23)cc1
InChIKey
CJQANEIQSNYREL-UHFFFAOYSA-N
Molecular formula
C17H15NO3S
Average molar mass
313.4 g/mol
Monoisotopic mass
313.07726451

Names & identifiers

Preferred name
Benzenesulfonamide, N-(5-hydroxy-1-naphthalenyl)-4-methyl-
IUPAC
N-(5-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamide
English name
N-(5-Hydroxy-1-naphthalenyl)-4-methylbenzenesulfonamide
Molecular formula
C17H15NO3S
Molecular weight
313.38

Names & synonyms

54179-45-2Benzenesulfonamide, N-(5-hydroxy-1-naphthalenyl)-4-methyl-N-(1-Hydroxy-5-naphthyl)-4-methylbenzenesulfonamideDTXSID8068919RefChem:563835DTXCID2041620N-(5-Hydroxy-1-naphthalenyl)-4-methylbenzenesulfonamideN-(5-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamideEnamine_005476SCHEMBL5307424CHEMBL45697745-p-toluenesulfonamido-1-naphthol
Show more names
HMS1409I20N-(5-hydroxynaphthalen-1-yl)-4-methylbenzene-1-sulfonamideAKOS002528605DB-298467AG-690/15438438n-(5-hydroxy-1-naphthyl)-4-methylbenzenesulfonamideZ45720566

Database identifiers

CAS
54179-45-2
PubChem CID
104703
DTXSID
DTXSID8068919
ChEMBL
CHEMBL4569774
Nikkaji
J429.245F

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
74.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
465

Physicochemical properties

EPA Substance Registry System
Benzenesulfonamide, N-(5-hydroxy-1-naphthalenyl)-4-methyl- (54179-45-2)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonamide, N-(5-hydroxy-1-naphthalenyl)-4-methyl-: INACTIVE

Related reactions

2 records
New reaction record
HRID 1579951 reaction equation
HRID 1579951As productuspto-grants-1976_01
HRID 2287009 reaction equation
HRID 2287009As productuspto-grants-1981_05

Compound notes

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