1-(2-Chlorophenyl)sulfonyl-3-(4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl)urea

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Basic information

CAS: 87644-23-3
Standard SMILES: COc1nc(CO)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
InChIKey: KRBPNBYMMYIDES-UHFFFAOYSA-N
Molecular formula: C12H12ClN5O5S
Average molar mass: 373.77 g/mol
Monoisotopic mass: 373.0247674

Names & identifiers

Preferred name: 1-(2-Chlorophenyl)sulfonyl-3-(4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl)urea
IUPAC: 1-(2-chlorophenyl)sulfonyl-3-[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]urea

Names & synonyms

87644-23-31-(2-Chlorophenyl)sulfonyl-3-(4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl)ureaDTXSID701007711N'-(2-Chlorobenzene-1-sulfonyl)-N-[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2(1H)-ylidene]carbamimidic acid

Database identifiers

CAS: 87644-23-3
PubChem CID: 187616
DTXSID: DTXSID701007711

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 152 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 530

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Compound notes

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