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3-(Aminosulfonyl)-4-chloro-N-(2-(2-methoxyphenoxy)ethyl)benzamide

HCID 4436090
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Basic information

CAS
883815-99-4
Standard SMILES
COc1ccccc1OCCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIKey
QTSHOVMWBQLZKD-UHFFFAOYSA-N
Molecular formula
C16H17ClN2O5S
Average molar mass
384.8 g/mol
Monoisotopic mass
384.0546705

Names & identifiers

Preferred name
3-(Aminosulfonyl)-4-chloro-N-(2-(2-methoxyphenoxy)ethyl)benzamide
IUPAC
4-chloro-N-[2-(2-methoxyphenoxy)ethyl]-3-sulfamoylbenzamide
English name
3-(Aminosulfonyl)-4-chloro-N-(2-(2-methoxyphenoxy)ethyl)benzamide
Molecular formula
C16H17ClN2O5S
Molecular weight
384.84

Names & synonyms

AKOS0243271773-(AMINOSULFONYL)-4-CHLORO-N-(2-(2-METHOXYPHENOXY)ETHYL)BENZAMIDEBenzamide, 3-(aminosulfonyl)-4-chloro-N-[2-(2-methoxyphenoxy)ethyl]-

Database identifiers

CAS
883815-99-4
PubChem CID
4436090
EC Number
104-936-1

Properties

Computed structural properties

XLogP
2
Topological polar surface area
116 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
25
Formal charge
0
Complexity
539

Physicochemical properties

Density
1.376 · 1.376±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
9.373 · 9.373±0.60(predicted)

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