2-(4-methylbenzenesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

2-(4-methylbenzenesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Formula: C16H17NO4S2

SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC1=C(C(O)=O)C2=C(CCCC2)S1

IUPAC: 2-(4-methylbenzenesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

InChI: InChI=1S/C16H17NO4S2/c1-10-6-8-11(9-7-10)23(20,21)17-15-14(16(18)19)12-4-2-3-5-13(12)22-15/h6-9,17H,2-5H2,1H3,(H,18,19)

Composition: C (54.68%), H (4.88%), N (3.99%), O (18.21%), S (18.25%)

Molar Mass: 351.44

Atom Count: 40

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	351.059900379
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	MBRCSVRYNYLVPJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.87
Topological Polar Surface Area	83.47
Polarizability	34.5
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H17NO4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00