N-(2,1,3-benzothiadiazol-4-yl)-2-chloroacetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-chloroacetamide

CAS: 175203-29-9

Formula: C8H6ClN3OS

SMILES: ClCC(=O)NC1=CC=CC2=NSN=C12

IUPAC: N-(2,1,3-benzothiadiazol-4-yl)-2-chloroacetamide

InChI: InChI=1S/C8H6ClN3OS/c9-4-7(13)10-5-2-1-3-6-8(5)12-14-11-6/h1-3H,4H2,(H,10,13)

Composition: C (42.21%), H (2.66%), Cl (15.57%), N (18.46%), O (7.03%), S (14.08%)

Molar Mass: 227.67

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	226.9920107
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AATZDKLUXUTSRL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.16
Topological Polar Surface Area	54.88
Polarizability	21.55
Ring Count	2
Rotatable Bond Count	2

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