N,N,2-trimethyl-5-nitrobenzenesulfonamide

N,N,2-trimethyl-5-nitrobenzenesulfonamide

CAS: 433695-36-4

Formula: C9H12N2O4S

SMILES: CN(C)S(=O)(=O)C1=C(C)C=CC(=C1)[N+]([O-])=O

IUPAC: N,N,2-trimethyl-5-nitrobenzene-1-sulfonamide

InChI: InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3

Composition: C (44.25%), H (4.95%), N (11.47%), O (26.20%), S (13.13%)

Molar Mass: 244.27

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.051778048
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IFIUFCJFLGCQPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.37
Topological Polar Surface Area	80.52
Polarizability	23.02
Ring Count	1
Rotatable Bond Count	2

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