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Home > Sulfanilamide > 866042-46-8
866042-46-8 | N-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)benzenesulfonamide
CAS No: 866042-46-8 Catalog No: AG00ITBQ MDL No:MFCD05670553
Product Description
Catalog Number:
AG00ITBQ
Chemical Name:
N-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)benzenesulfonamide
CAS Number:
866042-46-8
Molecular Formula:
C17H19NO3S
Molecular Weight:
317.4027
MDL Number:
MFCD05670553
IUPAC Name:
N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide
InChI:
InChI=1S/C17H19NO3S/c1-12-9-10-15(16-14(12)11-17(2,3)21-16)18-22(19,20)13-7-5-4-6-8-13/h4-10,18H,11H2,1-3H3
InChI Key:
XZCATKHLALMKMP-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1CC(O2)(C)C)NS(=O)(=O)c1ccccc1
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.403g/mol
Monoisotopic Mass:
317.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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 |
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