CCCCNC(=O)NS(=O)(=O)C1=CC=CC=C1CCl
Nombre: 1-butyl-3-[2-(chloromethyl)phenyl]sulfonylurea
SMILES: CCCCNC(=O)NS(=O)(=O)C1=CC=CC=C1CCl

Molecular Processing

Molecular formula
C12H17ClN2O3S
Molecular weight
304.8
Exact mass
304.0648
XLogP
2.21
TPSA
75.27
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
74.63

Supplementary Information

InChIKey: GAOXONNIOHQCBN-UHFFFAOYSA-N
Sinónimos
SCHEMBL10642741GAOXONNIOHQCBN-UHFFFAOYSA-N2-(Chloromethyl)-N-(butylaminocarbonyl)benzenesulfonamide2-(chloromethyl)-N-(butylaminocarbonyl)benzene sulfonamide
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