Compound C27H31ClN4O5S

[4-(heptylsulfonylamino)-2-methoxyphenyl]-(3-nitroacridin-9-yl)azanium chloride

CAS: 71803-04-8

Molecular Formula	`C27H31ClN4O5S`
Molecular Weight	559.1 g/mol
Topological Polar Surface Area	139.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	558.17035
Heavy Atoms	38
Complexity	832.0

Chemical Identifiers

CAS Number	71803-04-8
SMILES	`CCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])OC.[Cl-]`
InChIKey	`QJHIVKRBLCEQBX-UHFFFAOYSA-N`

📖 Product Overview

Compound C27H31ClN4O5S (CAS: 71803-04-8) is a chemical compound with molecular formula C27H31ClN4O5S and molecular weight 559.1 g/mol. Its IUPAC systematic name is [4-(heptylsulfonylamino)-2-methoxyphenyl]-(3-nitroacridin-9-yl)azanium chloride. Topological Polar Surface Area 139.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 11 Exact Mass 558.17035 Heavy Atoms 38 Complexity 832.0 InChI Key: QJHIVKRBLCEQBX-UHFFFAOYSA-N. SMILES: CCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])OC.[Cl-].

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