methyl N-[5-(propane-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]carbamate

methyl N-[5-(propane-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]carbamate

CAS: 75184-71-3

Formula: C12H15N3O4S

SMILES: CCCS(=O)(=O)C1=CC=C2NC(NC(=O)OC)=NC2=C1

IUPAC: methyl N-[5-(propane-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]carbamate

InChI: InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)

Composition: C (48.48%), H (5.09%), N (14.13%), O (21.52%), S (10.78%)

Molar Mass: 297.33

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	297.078327149
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	CLSJYOLYMZNKJB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.12
Topological Polar Surface Area	101.15
Polarizability	29.93
Ring Count	2
Rotatable Bond Count	5

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