2-chloro-N-[2-(3-methanesulfonyl-phenyl)-thiazol-5-ylmethyl]-benzenesulfonamide

HCID 67439913

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)c1cccc(-c2ncc(CNS(=O)(=O)c3ccccc3Cl)s2)c1
InChIKey: TYBCFFSCZUDWEX-UHFFFAOYSA-N
Molecular formula: C17H15ClN2O4S3
Average molar mass: 443 g/mol

Names & identifiers

Preferred name: 2-chloro-N-[2-(3-methanesulfonyl-phenyl)-thiazol-5-ylmethyl]-benzenesulfonamide
IUPAC: 2-chloro-N-[[2-(3-methylsulfonylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide

Names & synonyms

SCHEMBL2527748TYBCFFSCZUDWEX-UHFFFAOYSA-N2-chloro-N-[2-(3-methanesulfonyl-phenyl)-thiazol-5-ylmethyl]-benzenesulfonamide

Database identifiers

PubChem CID: 67439913

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 138 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 705

Related reactions

7 records

New reaction record

HRID 86129As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 160033As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 934442As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1665021As productuspto-grants-2011_10

HRID 1665022As reactantuspto-grants-2011_10

HRID 1665023As reactantuspto-grants-2011_10

HRID 1665024As reactantuspto-grants-2011_10

Compound notes

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