(2S)-1-[7-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-4-yl]pyrrolidine-2-carbonyl chloride

(2S)-1-[7-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-4-yl]pyrrolidine-2-carbonyl chloride

CAS: 150993-63-8

Formula: C13H15ClN4O4S

SMILES: CN(C)S(=O)(=O)C1=CC=C(N2CCC[C@H]2C(Cl)=O)C2=NON=C12

IUPAC: (2S)-1-[7-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-4-yl]pyrrolidine-2-carbonyl chloride

InChI: InChI=1S/C13H15ClN4O4S/c1-17(2)23(20,21)10-6-5-8(11-12(10)16-22-15-11)18-7-3-4-9(18)13(14)19/h5-6,9H,3-4,7H2,1-2H3/t9-/m0/s1

Composition: C (43.52%), H (4.21%), Cl (9.88%), N (15.62%), O (17.84%), S (8.94%)

Molar Mass: 358.8

Atom Count: 38

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	358.0502539
Formal Charge	0
FSP3	0.46
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	ZPBKQTOHYMFDLD-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.74
Topological Polar Surface Area	96.61
Polarizability	33.64
Ring Count	3
Rotatable Bond Count	3

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