2,4-Diamino-quinazoline-6-sulfonic acid (3,4-dichloro-benzyl)-methyl-amide

HCID 516586

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Basic information

CAS: 92144-31-5
Standard SMILES: CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2nc(N)nc(N)c2c1
InChIKey: BQRZARJCCOVNAL-UHFFFAOYSA-N
Molecular formula: C16H15Cl2N5O2S
Average molar mass: 412.3 g/mol
Monoisotopic mass: 411.0323513

Names & identifiers

Preferred name: 2,4-Diamino-quinazoline-6-sulfonic acid (3,4-dichloro-benzyl)-methyl-amide
IUPAC: 2,4-diamino-N-[(3,4-dichlorophenyl)methyl]-N-methylquinazoline-6-sulfonamide

Names & synonyms

92144-31-52,4-Diamino-quinazoline-6-sulfonic acid (3,4-dichloro-benzyl)-methyl-amideDTXSID70238898RefChem:246096DTXCID201613892,4-diamino-N-[(3,4-dichlorophenyl)methyl]-N-methylquinazoline-6-sulfonamideCHEMBL298380BQRZARJCCOVNAL-UHFFFAOYSA-N2,4-Diamino-N-[3,4-dichlorobenzyl]-N-methyl-6-quinazolinesulfonamide2,4-diamino-N-[(3,4-dichlorophenyl)methyl]-N-methyl-quinazoline-6-sulfonamide

Database identifiers

CAS: 92144-31-5
PubChem CID: 516586
DTXSID: DTXSID70238898
ChEMBL: CHEMBL298380

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 124 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 590

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