Mesosulfuron Impurity 3

CAT: 1596-AR-M04271-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-M04271-05Size:150

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CAS Number

393509-80-3

Molecular Formula

C10H14N2O6S2

Molecular Weight

322.35

API Name

Mesosulfuron

Chemical Information

Methyl 4-(methylsulfonamidomethyl)-2-sulfamoylbenzoate

CAS Number	393509-80-3
PubChem CID	17937780
IUPAC Name	methyl 4-(methanesulfonamidomethyl)-2-sulfamoylbenzoate
Molecular Formula	C10H14N2O6S2
Molecular Weight	322.4
XLogP	-0.8
Topological Polar Surface Area	149
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	545

SMILES

COC(=O)C1=C(C=C(C=C1)CNS(=O)(=O)C)S(=O)(=O)N

InChI

InChI=1S/C10H14N2O6S2/c1-18-10(13)8-4-3-7(6-12-19(2,14)15)5-9(8)20(11,16)17/h3-5,12H,6H2,1-2H3,(H2,11,16,17)

InChIKey

PKRVNZBYNHOGDO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 393509-80-3

CID: 17937780

Formula: C10H14N2O6S2

MW: 322.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.4
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	322.02932852
Monoisotopic Mass	322.02932852
Topological Polar Surface Area	149 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	545
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-M314120-10MG	Mesosulfuron
GTR19173208-01	Mesosulfuron-methyl
CS-EE-00042	Mesosulfuron methyl
HY-126987R-01	Mesosulfuron-methyl (Standard)
TRC-M225256-25MG	Mesosulfuron-methyl-d6
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity
RM-R210208-01	Rivaroxaban Impurity I (Potential Impurity)
RM-R210210-01	Rivaroxaban Impurity Iii (Potential Impurity)
RM-G271005-01	Gc376 Impurity 5; Nirmatrelvir Impurity