Indophagolin

CAT: 0926-HYB66000-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-HYB66000-03Size:100 mg

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CAS Number

1207660-00-1

Smiles

CCSC1=C (C2=NC (=CC (=O) N2N1) C (F) (F) F) C (=O) O

Molecular Formula

C19H15BrClF3N2O3S

Molecular Weight

523.8 g/mol

Controlled

Chemical Information

Indophagolin

CAS Number	1207660-00-1
PubChem CID	46504926
IUPAC Name	5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide
Molecular Formula	C19H15BrClF3N2O3S
Molecular Weight	523.8
XLogP	4.5
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	774

SMILES

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)Br

InChI

InChI=1S/C19H15BrClF3N2O3S/c20-14-7-11-5-6-26(18(27)10-1-2-10)16(11)9-17(14)30(28,29)25-12-3-4-15(21)13(8-12)19(22,23)24/h3-4,7-10,25H,1-2,5-6H2

InChIKey

OGXJZCDFFBDSJJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1207660-00-1

CID: 46504926

Formula: C19H15BrClF3N2O3S

MW: 523.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	523.8
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	521.96274
Monoisotopic Mass	521.96274
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	774
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

Catalog	Name
M23377-01	Indophagolin