Responsive image

Common name


orthosulfamuron

IUPAC name


2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]amino]-N,N-dimethylbenzamide

SMILES


CN(C)C(=O)c1ccccc1NS(=O)(=O)NC(=O)Nc1nc(cc(n1)OC)OC

Compound class


Herbicide

Therapeutic area


Herbicide

Common name


orthosulfamuron

IUPAC name


2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]amino]-N,N-dimethylbenzamide

SMILES


CN(C)C(=O)c1ccccc1NS(=O)(=O)NC(=O)Nc1nc(cc(n1)OC)OC

INCHI


InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)

FORMULA


C16H20N6O6S

Responsive image

Common name


orthosulfamuron

IUPAC name


2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]amino]-N,N-dimethylbenzamide

Molecular weight


424.432

clogP


-0.972

clogS


-3.176

HBond Acceptor


9

HBond Donor


3

Total Polar
Surface Area


155.34

Number of Rings


2

Rotatable Bond


9

Drug ID Common name Structure CAS SMILE Frequency
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00790 pyrimidine Responsive image n1cnccc1 0.0161
FDBF00925 N,N-dimethylformamide Responsive image O=CN(C)C 0.0041
FDBF01254 4-methoxypyrimidine Responsive image O(C)c1ccncn1 0.0086
FDBF06198 N,N-dimethylbenzamide Responsive image c1(ccccc1)C(=O)N(C)C 0.0007
5 , 1