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2-(Methylthio)-6-phenylbenzenesulfonamide

HCID 13670367
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1cccc(-c2ccccc2)c1S(N)(=O)=O
InChIKey
OQQWKOASXPJBNW-UHFFFAOYSA-N
Molecular formula
C13H13NO2S2
Average molar mass
279.4 g/mol

Names & identifiers

Preferred name
2-(Methylthio)-6-phenylbenzenesulfonamide
IUPAC
2-methylsulfanyl-6-phenylbenzenesulfonamide

Names & synonyms

SCHEMBL6823506OQQWKOASXPJBNW-UHFFFAOYSA-N2-(Methylthio)-6-phenylbenzenesulfonamide

Database identifiers

PubChem CID
13670367

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
93.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
358

Related reactions

5 records
New reaction record
HRID 34870 reaction equation
HRID 34870As productuspto-grants-1988_08
HRID 246993 reaction equation
HRID 246993As productuspto-grants-1987_11
HRID 363984 reaction equation
HRID 363984As productuspto-grants-1986_08
HRID 822251 reaction equation
HRID 822251As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1638248 reaction equation
HRID 1638248As productuspto-grants-1989_11

Compound notes

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