5-(propane-1-sulfonyl)-1H-1,3-benzodiazol-2-amine

5-(propane-1-sulfonyl)-1H-1,3-benzodiazol-2-amine

CAS: 80983-34-2

Formula: C10H13N3O2S

SMILES: CCCS(=O)(=O)C1=CC=C2NC(N)=NC2=C1

IUPAC: 5-(propane-1-sulfonyl)-1H-1,3-benzodiazol-2-amine

InChI: InChI=1S/C10H13N3O2S/c1-2-5-16(14,15)7-3-4-8-9(6-7)13-10(11)12-8/h3-4,6H,2,5H2,1H3,(H3,11,12,13)

Composition: C (50.19%), H (5.48%), N (17.56%), O (13.37%), S (13.40%)

Molar Mass: 239.29

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	239.072847845
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WTPBIYSMFKUQKY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.34
Topological Polar Surface Area	88.84
Polarizability	25.44
Ring Count	2
Rotatable Bond Count	3

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