SU0268

CAT: 0127-BUP03188-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03188-02Size:5 mg

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CAS Number

2210228-45-6

Purity

=98%

Smiles

NC(=O)c1cccc(c1)-c1ccc(cc1)S(=O)(=O)Nc1ccc2CCCN(C(=O)C3CC3)c2c1

Chemical Information

4'-(N-(1-(Cyclopropanecarbonyl)-1,2,3,4-tetrahydroquinolin-7-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboxamide

CAS Number	2210228-45-6
PubChem CID	154934526
IUPAC Name	3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]sulfamoyl]phenyl]benzamide
Molecular Formula	C26H25N3O4S
Molecular Weight	475.6
XLogP	3.2
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	860

SMILES

C1CC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)C(=O)N)N(C1)C(=O)C5CC5

InChI

InChI=1S/C26H25N3O4S/c27-25(30)21-4-1-3-20(15-21)17-9-12-23(13-10-17)34(32,33)28-22-11-8-18-5-2-14-29(24(18)16-22)26(31)19-6-7-19/h1,3-4,8-13,15-16,19,28H,2,5-7,14H2,(H2,27,30)

InChIKey

XGGNCZLDTJOSFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2210228-45-6

CID: 154934526

Formula: C26H25N3O4S

MW: 475.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	475.6
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	475.15657746
Monoisotopic Mass	475.15657746
Topological Polar Surface Area	118 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	860
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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