2-[(4-aminophenyl)sulfanyl]-N-(2-bromophenyl)propanamide

2-[(4-aminophenyl)sulfanyl]-N-(2-bromophenyl)propanamide

CAS: 913246-00-1

Formula: C15H15BrN2OS

SMILES: CC(SC1=CC=C(N)C=C1)C(=O)NC1=C(Br)C=CC=C1

IUPAC: 2-[(4-aminophenyl)sulfanyl]-N-(2-bromophenyl)propanamide

InChI: InChI=1/C15H15BrN2OS/c1-10(20-12-8-6-11(17)7-9-12)15(19)18-14-5-3-2-4-13(14)16/h2-10H,17H2,1H3,(H,18,19)

Composition: C (51.29%), H (4.30%), Br (22.75%), N (7.98%), O (4.55%), S (9.13%)

Molar Mass: 351.26

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	350.008847
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KXWQPEKGHMBRQJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.14
Topological Polar Surface Area	55.12
Polarizability	33.55
Ring Count	2
Rotatable Bond Count	4

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