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Home > Sulfanilamide > 866042-47-9
866042-47-9 | 3-methyl-N-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)benzene-1-sulfonamide
CAS No: 866042-47-9 Catalog No: AG00IZX6 MDL No:MFCD05670554
Product Description
Catalog Number:
AG00IZX6
Chemical Name:
3-methyl-N-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)benzene-1-sulfonamide
CAS Number:
866042-47-9
Molecular Formula:
C18H21NO3S
Molecular Weight:
331.4292
MDL Number:
MFCD05670554
IUPAC Name:
3-methyl-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide
InChI:
InChI=1S/C18H21NO3S/c1-12-6-5-7-14(10-12)23(20,21)19-16-9-8-13(2)15-11-18(3,4)22-17(15)16/h5-10,19H,11H2,1-4H3
InChI Key:
UJIQPZJUMZYWBJ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)S(=O)(=O)Nc1ccc(c2c1OC(C2)(C)C)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.124g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.43g/mol
Monoisotopic Mass:
331.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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 |
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