3-Methyl-N-[3-(1H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide

HCID 178431998
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Basic information

Standard SMILES
Cc1c(S(=O)(=O)Nc2cccc(-c3nnn[nH]3)c2)sc2ccccc12
InChIKey
QTKZILXILDWMNS-UHFFFAOYSA-N
Molecular formula
C16H13N5O2S2
Average molar mass
371.4 g/mol
Monoisotopic mass
371.05106702

Names & identifiers

Preferred name
3-Methyl-N-[3-(1H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
IUPAC
3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide

Names & synonyms

SCHEMBL793671CHEMBL3728397SCHEMBL21857478QTKZILXILDWMNS-UHFFFAOYSA-NBDBM200940US9233946, 393-Methyl-N-[3-(1H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide

Database identifiers

PubChem CID
56941167

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
137 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
25

Related reactions

1 records
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Compound notes

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