UK-240455 50mg

CAT: 0628-A20800-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A20800-50Size:50 mg

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CAS Number

178908-09-3

Chemical Information

N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(2-hydroxyethyl)methanesulfonamide

CAS Number	178908-09-3
PubChem CID	9842188
IUPAC Name	N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(2-hydroxyethyl)methanesulfonamide
Molecular Formula	C11H11Cl2N3O5S
Molecular Weight	368.2
XLogP	0.2
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	567

SMILES

CS(=O)(=O)N(CCO)C1=C2C(=CC(=C1Cl)Cl)NC(=O)C(=O)N2

InChI

InChI=1S/C11H11Cl2N3O5S/c1-22(20,21)16(2-3-17)9-7(13)5(12)4-6-8(9)15-11(19)10(18)14-6/h4,17H,2-3H2,1H3,(H,14,18)(H,15,19)

InChIKey

BGJHUMNCODFLCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 178908-09-3

CID: 9842188

Formula: C11H11Cl2N3O5S

MW: 368.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.2
XLogP3	0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	366.9796470
Monoisotopic Mass	366.9796470
Topological Polar Surface Area	124 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	567
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes