Home Sulfos 4-[3-(3,4-Dichloro-phenyl)-ureido]-2-methyl-benzenesulfonyl chloride

4-[3-(3,4-Dichloro-phenyl)-ureido]-2-methyl-benzenesulfonyl chloride

CAS No.:
677327-01-4
Catalog Number:
AG01EWW1
Molecular Formula:
C14H11Cl3N2O3S
Molecular Weight:
393.6727
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Product Description
Catalog Number:
AG01EWW1
Chemical Name:
4-[3-(3,4-Dichloro-phenyl)-ureido]-2-methyl-benzenesulfonyl chloride
CAS Number:
677327-01-4
Molecular Formula:
C14H11Cl3N2O3S
Molecular Weight:
393.6727
MDL Number:
MFCD03424868
IUPAC Name:
4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C14H11Cl3N2O3S/c1-8-6-9(3-5-13(8)23(17,21)22)18-14(20)19-10-2-4-11(15)12(16)7-10/h2-7H,1H3,(H2,18,19,20)
InChI Key:
AOEDHPNSDNPOEC-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(c(c1)C)S(=O)(=O)Cl
Properties
Complexity:
526  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.956g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
393.663g/mol
Monoisotopic Mass:
391.956g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties