TCN 201 50mg

CAT: 0628-A11947-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A11947-50Size:50 mg

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CAS Number

852918-02-6

Chemical Information

Tcn-201

CAS Number	852918-02-6
PubChem CID	4787937
IUPAC Name	N-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-chloro-4-fluorobenzenesulfonamide
Molecular Formula	C21H17ClFN3O4S
Molecular Weight	461.9
XLogP	3.6
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	719

SMILES

C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)

InChIKey

FYIBXBFDXNPBSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 852918-02-6

CID: 4787937

Formula: C21H17ClFN3O4S

MW: 461.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	461.9
XLogP3	3.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	461.0612331
Monoisotopic Mass	461.0612331
Topological Polar Surface Area	113 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	719
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

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