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1163-51-5 | 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-phenyl-, 1,1-dioxide
CAS No: 1163-51-5 Catalog No: AG000C5P MDL No:
Product Description
Catalog Number:
AG000C5P
Chemical Name:
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-phenyl-, 1,1-dioxide
CAS Number:
1163-51-5
Molecular Formula:
C13H10ClN3O4S2
Molecular Weight:
371.8192
IUPAC Name:
6-chloro-1,1-dioxo-3-phenyl-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
InChI:
InChI=1S/C13H10ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H2,15,18,19)
InChI Key:
PQZSAKDDBHCRCN-UHFFFAOYSA-N
SMILES:
Clc1cc2N=C(NS(=O)(=O)c2cc1S(=O)(=O)N)c1ccccc1
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.98g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.81g/mol
Monoisotopic Mass:
370.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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