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N-(2-Iodophenyl)methanesulfonamide

CAT: 0572-TRC-N598545-750MGSize: 750 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N598545-750MGSize:750 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116547-92-3
Hazard Statement
No Data Available
Smiles
CS(=O)(=O)Nc1ccccc1I
Molecular Formula
C7 H8 I N O2 S
Molecular Weight
297.113
InChI
InChI=1S/C7H8INO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
Additionnal Information
IUPAC name: N-(2-iodophenyl)methanesulfonamide
Shipping Conditions
Room Temperature

Chemical Information

N-(2-iodophenyl)methanesulfonamide
CAS Number116547-92-3
PubChem CID780001
IUPAC NameN-(2-iodophenyl)methanesulfonamide
Molecular FormulaC7H8INO2S
Molecular Weight297.12
XLogP1.3
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity234
SMILES
CS(=O)(=O)NC1=CC=CC=C1I
InChI
InChI=1S/C7H8INO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
LDYJASRWKZXTBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-iodophenyl)methanesulfonamide
CAS: 116547-92-3
CID: 780001
Formula: C7H8INO2S
MW: 297.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.12
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass296.93205
Monoisotopic Mass296.93205
Topological Polar Surface Area54.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity234
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

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Alternative Products

CatalogName
CTA34082-01(2-Iodophenyl) methanesulfonamide
sc-354578AN- (3-iodophenyl) methanesulfonamide
456906-01N- (2-Fluoro-4-iodophenyl) methanesulfonamide
EWB10796-01N- (2-Hydroxypropyl) methanesulfonamide
KEA38393-01N- (2-Iodoethyl) methanesulfonamide
WAA89659N- (2-Chloroethyl) methanesulfonamide
JH401291N- (2-bromoethyl) methanesulfonamide
OR1061570-01N- (2-Oxopropyl) methanesulfonamide
FWB62389-01N- (2-Isothiocyanatoethyl) methanesulfonamide
456907-01N- (2-Fluorobenzyl) methanesulfonamide

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