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N,N-dimethyl-7-(piperazin-1-yl)-2,1,3-benzoxadiazole-4-sulfonamide

N,N-dimethyl-7-(piperazin-1-yl)-2,1,3-benzoxadiazole-4-sulfonamide

CAS: 139332-64-2

Formula: C12H17N5O3S

SMILES: CN(C)S(=O)(=O)C1=CC=C(N2CCNCC2)C2=NON=C12

IUPAC: N,N-dimethyl-7-(piperazin-1-yl)-2,1,3-benzoxadiazole-4-sulfonamide

InChI: InChI=1S/C12H17N5O3S/c1-16(2)21(18,19)10-4-3-9(11-12(10)15-20-14-11)17-7-5-13-6-8-17/h3-4,13H,5-8H2,1-2H3

Composition: C (46.29%), H (5.50%), N (22.49%), O (15.42%), S (10.30%)

Molar Mass: 311.36

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 311.105210601
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey XFQLOSBBYVMBGT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.27
Topological Polar Surface Area 91.57
Polarizability 31.29
Ring Count 3
Rotatable Bond Count 2

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