N-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethyl)naphthalene-2-sulfonamide

HCID 19085295
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Basic information

Standard SMILES
CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CNS(=O)(=O)c2ccc3ccccc3c2)s1
InChIKey
KUBYOMMMJRXXNR-UHFFFAOYSA-N
Molecular formula
C27H23ClN4O3S2
Average molar mass
551.1 g/mol
Monoisotopic mass
550.0900106

Names & identifiers

Preferred name
N-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethyl)naphthalene-2-sulfonamide
IUPAC
N-[[4-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-5-methyl-1,2,4-triazol-3-yl]methyl]naphthalene-2-sulfonamide

Names & synonyms

SCHEMBL8689983KUBYOMMMJRXXNR-UHFFFAOYSA-NN-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethyl)naphthalene-2-sulfonamide

Database identifiers

PubChem CID
19085295

Properties

Computed structural properties

XLogP
6
Topological polar surface area
131 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
37

Related reactions

2 records
New reaction record

Linked notes

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