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Home Sulfos 2-(chloromethyl)-N,N-diethyl-1H-1,3-benzodiazole-6-sulfonamide

2-(chloromethyl)-N,N-diethyl-1H-1,3-benzodiazole-6-sulfonamide

CAS No.:
730950-11-5
Catalog Number:
AG00ICCJ
Molecular Formula:
C12H16ClN3O2S
Molecular Weight:
301.7923
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Product Description
Catalog Number:
AG00ICCJ
Chemical Name:
2-(chloromethyl)-N,N-diethyl-1H-1,3-benzodiazole-6-sulfonamide
CAS Number:
730950-11-5
Molecular Formula:
C12H16ClN3O2S
Molecular Weight:
301.7923
MDL Number:
MFCD04621530
IUPAC Name:
2-(chloromethyl)-N,N-diethyl-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C12H16ClN3O2S/c1-3-16(4-2)19(17,18)9-5-6-10-11(7-9)15-12(8-13)14-10/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChI Key:
HWHDMTNQQRTCTL-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc2c(c1)[nH]c(n2)CCl)CC
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.065g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.789g/mol
Monoisotopic Mass:
301.065g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties