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1580-83-2 | 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-[(4-fluorophenyl)methyl]-3,4-dihydro-, 1,1-dioxide
CAS No: 1580-83-2 Catalog No: AG001PW8 MDL No:
Product Description
Catalog Number:
AG001PW8
Chemical Name:
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-[(4-fluorophenyl)methyl]-3,4-dihydro-, 1,1-dioxide
CAS Number:
1580-83-2
Molecular Formula:
C14H13ClFN3O4S2
Molecular Weight:
405.8521
IUPAC Name:
6-chloro-3-[(4-fluorophenyl)methyl]-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
InChI:
InChI=1S/C14H13ClFN3O4S2/c15-10-6-11-13(7-12(10)24(17,20)21)25(22,23)19-14(18-11)5-8-1-3-9(16)4-2-8/h1-4,6-7,14,18-19H,5H2,(H2,17,20,21)
InChI Key:
JDCJFONQCRLHND-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N
EC Number:
216-426-7
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.002g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
405.843g/mol
Monoisotopic Mass:
405.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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