2-(Chloromethyl)-N-[(4,6-dimethoxypyrimidin-2-yl)-aminocarbonyl]benzenesulfonamide

HCID 13364617

Basic information

Standard SMILES
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2CCl)n1
InChIKey
FOZAQHFCWRSZOH-UHFFFAOYSA-N
Molecular formula
C14H15ClN4O5S
Average molar mass
386.8 g/mol

Names & identifiers

Preferred name
2-(Chloromethyl)-N-[(4,6-dimethoxypyrimidin-2-yl)-aminocarbonyl]benzenesulfonamide
IUPAC
1-[2-(chloromethyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea

Names & synonyms

SCHEMBL10646472FOZAQHFCWRSZOH-UHFFFAOYSA-N2-(Chloromethyl)-N-[(4,6-dimethoxypyrimidin-2-yl)-aminocarbonyl]benzenesulfonamide2-(chloromethyl)-N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]benzenesulfonamide

Database identifiers

PubChem CID
13364617
Nikkaji
J697.967J

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
128 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
25

Related reactions

5 records

Linked notes

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