N-{4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzenesulfonyl}butanamide

N-{4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzenesulfonyl}butanamide

Formula: C12H18N4O3S

SMILES: CCCC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN(C)C

IUPAC: N-{4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzenesulfonyl}butanamide

InChI: InChI=1S/C12H18N4O3S/c1-4-5-12(17)14-20(18,19)11-8-6-10(7-9-11)13-15-16(2)3/h6-9H,4-5H2,1-3H3,(H,14,17)/b15-13+

Composition: C (48.31%), H (6.08%), N (18.78%), O (16.09%), S (10.75%)

Molar Mass: 298.36

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	298.10996163
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	XIXUZLFILBOXAI-FYWRMAATSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.75
Topological Polar Surface Area	91.2
Polarizability	29.87
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H18N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00