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Indisulam

CAT: 0127-BUP14327-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP14327-01Size:2 mg
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CAS Number
165668-41-7
Synonyms
E 7070
Purity
=98%
Smiles
NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Storage Conditions
Store at -20°C

Chemical Information

Indisulam

Indisulam is a chloroindole that is 3-chloro-1H-indole substituted by a [(4-sulfamoylphenyl)sulfonyl]nitrilo group at position 7. It is a carbonic anhydrase inhibitor and a potential anti-cancer agent currently in clinical development. It has a role as an EC 4.2.1.1 (carbonic anhydrase) inhibitor and an antineoplastic agent. It is a sulfonamide, an organochlorine compound and a chloroindole.

CAS Number165668-41-7
PubChem CID216468
IUPAC Name4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
Molecular FormulaC14H12ClN3O4S2
Molecular Weight385.8
XLogP1.8
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity650
SMILES
C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl
InChI
InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
InChIKey
SETFNECMODOHTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indisulam
CAS: 165668-41-7
CID: 216468
Formula: C14H12ClN3O4S2
MW: 385.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.8
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass384.9957759
Monoisotopic Mass384.9957759
Topological Polar Surface Area139 Ų
Heavy Atom Count24
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7206-5.1Indisulam

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