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Mectamifen

CAT: 1596-AR-M03977-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M03977-02Size:25 Units
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CAS Number
129531-12-0
Molecular Formula
C16H17N3O5S
Molecular Weight
363.39
API Name
Mectamifen

Chemical Information

2-methoxy-N-{4-[(methylcarbamoyl)amino]benzene-1-sulfonyl}benzamide

Metcamifen is an N-sulfonylcarboxamide resulting from the formal condensation of the sulfamoyl group of 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide with the carboxy group of 2-methoxybenzoic acid. It is a herbicide safener applied as a seed treatment in sorghum. It has a role as a herbicide safener. It is a member of benzamides, a monomethoxybenzene, a sulfonamide, a member of ureas and a N-sulfonylcarboxamide.

CAS Number129531-12-0
PubChem CID11559601
IUPAC Name2-methoxy-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
Molecular FormulaC16H17N3O5S
Molecular Weight363.4
XLogP2.1
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity567
SMILES
CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2OC
InChI
InChI=1S/C16H17N3O5S/c1-17-16(21)18-11-7-9-12(10-8-11)25(22,23)19-15(20)13-5-3-4-6-14(13)24-2/h3-10H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKey
JCHMGYRXQDASJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-methoxy-N-{4-[(methylcarbamoyl)amino]benzene-1-sulfonyl}benzamide
CAS: 129531-12-0
CID: 11559601
Formula: C16H17N3O5S
MW: 363.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass363.08889182
Monoisotopic Mass363.08889182
Topological Polar Surface Area122 Ų
Heavy Atom Count25
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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