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7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

CAS: 143112-49-6

Formula: C12H17N5O3S

SMILES: CN(C)S(=O)(=O)C1=CC=C(N2CC[C@@H](N)C2)C2=NON=C12

IUPAC: 7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-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)17-6-5-8(13)7-17/h3-4,8H,5-7,13H2,1-2H3/t8-/m1/s1

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 1
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 SZJGHUNJZRXXCA-MRVPVSSYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.03
Topological Polar Surface Area 105.56
Polarizability 31.29
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS UnitPrice
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