4-amino-N-[4,6-diethyl-5-(2-hydroxyphenyl)pyrimidin-2-yl]benzenesulfonamide

HCID 314669

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Basic information

CAS: 58416-75-4
Standard SMILES: CCc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(CC)c1-c1ccccc1O
InChIKey: CMYQDNCLWVWRRS-UHFFFAOYSA-N
Molecular formula: C20H22N4O3S
Average molar mass: 398.5 g/mol
Monoisotopic mass: 398.14126175

Names & identifiers

Preferred name: 4-amino-N-[4,6-diethyl-5-(2-hydroxyphenyl)pyrimidin-2-yl]benzenesulfonamide
IUPAC: 4-amino-N-[4,6-diethyl-5-(2-hydroxyphenyl)pyrimidin-2-yl]benzenesulfonamide

Names & synonyms

58416-75-4NSC2339574-amino-N-[4,6-diethyl-5-(2-hydroxyphenyl)pyrimidin-2-yl]benzenesulfonamideDTXSID10310884NSC-2339574-Amino-N-[4,6-diethyl-5-(2-hydroxyphenyl)pyrimidin-2-yl]benzene-1-sulfonamide

Database identifiers

CAS: 58416-75-4
PubChem CID: 314669
DTXSID: DTXSID10310884

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 127 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 575

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