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7-[(2-aminoethyl)amino]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

7-[(2-aminoethyl)amino]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

CAS: 189373-41-9

Formula: C10H15N5O3S

SMILES: CN(C)S(=O)(=O)C1=CC=C(NCCN)C2=NON=C12

IUPAC: 7-[(2-aminoethyl)amino]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

InChI: InChI=1S/C10H15N5O3S/c1-15(2)19(16,17)8-4-3-7(12-6-5-11)9-10(8)14-18-13-9/h3-4,12H,5-6,11H2,1-2H3

Composition: C (42.10%), H (5.30%), N (24.55%), O (16.82%), S (11.24%)

Molar Mass: 285.32

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 285.089560537
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey RDMBHRPODMXKHT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.23
Topological Polar Surface Area 114.35
Polarizability 28.34
Ring Count 2
Rotatable Bond Count 4

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