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N-Butyl-4-methyl-N-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonamide

HCID 320526
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
10285-90-2
Standard SMILES
CCCCN(S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIKey
ZBJXVAJUIPZDJP-UHFFFAOYSA-N
Molecular formula
C18H23NO4S2
Average molar mass
381.5 g/mol
Monoisotopic mass
381.10685056

Names & identifiers

Preferred name
N-Butyl-4-methyl-N-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonamide
IUPAC
N-butyl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide

Names & synonyms

10285-90-2NSC268499DTXSID50313293N-Butyl-4-methyl-N-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonamideNSC-268499

Database identifiers

CAS
10285-90-2
PubChem CID
320526
DTXSID
DTXSID50313293
Nikkaji
J1.428.129K

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
88.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
25
Formal charge
0
Complexity
550

Related reactions

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Compound notes

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