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1000313-20-1 | 2H-1,2,4-Benzothiadiazine-3-acetic acid, 7-[(methylsulfonyl)amino]-, 1,1-dioxide
CAS No: 1000313-20-1 Catalog No: AG0000BI MDL No:
Product Description
Catalog Number:
AG0000BI
Chemical Name:
2H-1,2,4-Benzothiadiazine-3-acetic acid, 7-[(methylsulfonyl)amino]-, 1,1-dioxide
CAS Number:
1000313-20-1
Molecular Formula:
C10H11N3O6S2
Molecular Weight:
333.3408
IUPAC Name:
2-[7-(methanesulfonamido)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl]acetic acid
InChI:
InChI=1S/C10H11N3O6S2/c1-20(16,17)12-6-2-3-7-8(4-6)21(18,19)13-9(11-7)5-10(14)15/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)
InChI Key:
ZCDWNPVNFYEBDG-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=Nc2ccc(cc2S(=O)(=O)N1)NS(=O)(=O)C
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.009g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
333.333g/mol
Monoisotopic Mass:
333.009g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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