4-(7-Benz(c)acridinylamino)-3-methyoxymethanesulfonanilide hydrochloride

HCID 184142

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Basic information

CAS: 110004-66-5
Standard SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1ccc1ccccc12
InChIKey: DEXVMQVUMKRDSW-UHFFFAOYSA-N
Molecular formula: C25H21N3O3S
Average molar mass: 443.5 g/mol
Monoisotopic mass: 443.13036271

Names & identifiers

Preferred name: 4-(7-Benz(c)acridinylamino)-3-methyoxymethanesulfonanilide hydrochloride
IUPAC: N-[4-(benzo[c]acridin-7-ylamino)-3-methoxyphenyl]methanesulfonamide

Names & synonyms

110004-66-54-(7-Benz(c)acridinylamino)-3-methyoxymethanesulfonanilide hydrochlorideCHEMBL107325DTXSID70149096Methanesulfonamide, N-[4-(benz[c]acridin-7-ylamino)-3-methoxyphenyl]-N-{4-[(Benzo[c]acridin-7-yl)amino]-3-methoxyphenyl}methanesulfonamide

Database identifiers

CAS: 110004-66-5
PubChem CID: 184142
DTXSID: DTXSID70149096
ChEMBL: CHEMBL107325
Nikkaji: J352.265B

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 88.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 741

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