2,3-Dimethyl-3-(4-sulfobutyl)-3H-indole-5-sulfonic acid

HCID 59366226
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Basic information

Standard SMILES
CC1=Nc2ccc(S(=O)(=O)O)cc2C1(C)CCCCS(=O)(=O)O
InChIKey
KGECGSDLSUJXJG-UHFFFAOYSA-N
Molecular formula
C14H19NO6S2
Average molar mass
361.4 g/mol

Names & identifiers

Preferred name
2,3-Dimethyl-3-(4-sulfobutyl)-3H-indole-5-sulfonic acid
IUPAC
2,3-dimethyl-3-(4-sulfobutyl)indole-5-sulfonic acid

Names & synonyms

SCHEMBL5601822,3-Dimethyl-3-(4-sulfobutyl)-3H-indole-5-sulfonic acidKGECGSDLSUJXJG-UHFFFAOYSA-N2,3-dimethyl-3-(4-sulfobutyl)-5-sulfo-3H-indole2,3-Dimethyl-3-(4-sulphobutyl)-3H-indole-5-sulphonic acid

Database identifiers

PubChem CID
59366226
Nikkaji
J3.149.803A

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
138 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
23

Related reactions

5 records
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Compound notes

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