4-Iodobenzenesulphonamide

CAT: 0926-FI67449-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FI67449-01Size:5 g

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CAS Number

825-86-5

MDL Number

MFCD00092887

Smiles

C1=CC (=CC=C1S (=O) (=O) N) I

Molecular Formula

C6H6INO2S

Molecular Weight

283.09 g/mol

Controlled

Chemical Information

4-Iodobenzenesulfonamide

used as carrier for red cell labelling

CAS Number	825-86-5
PubChem CID	13218
IUPAC Name	4-iodobenzenesulfonamide
Molecular Formula	C6H6INO2S
Molecular Weight	283.09
XLogP	1.6
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	213

SMILES

C1=CC(=CC=C1S(=O)(=O)N)I

InChI

InChI=1S/C6H6INO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChIKey

KQZFABSTXSNEQH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 825-86-5

CID: 13218

Formula: C6H6INO2S

MW: 283.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.09
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	282.91640
Monoisotopic Mass	282.91640
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	213
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
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AAA46134	4,4,4-Trifluorobutanamide
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AAA40687	4,4,4-Trifluorobutanal
HCA98858-01	4- (4'-Bromophenyl) -4-hydroxypiperidine
FE60063-01	Ethyl 4,4,4-Trichloroacetoacetate
FCA23456-01	4- (4-Methoxyphenyl) -4-oxobutanenitrile
FT47010-01	4,4',4''-Trimethoxytrityl chloride
IC20325-01	4- (4-Chlorophenyl) -4-hydroxypiperidine
BAA53282-01	4- (4-Methylbenzenesulfonate) -4-isoquinolinol

Catalog	Name
sc-356898A	4-Iodobenzenesulphonamide
OR12196-01	N-[2- (Hydroxymethyl) phenyl]-4-iodobenzenesulphonamide
OR2018	2-Amino-5-iodobenzenesulphonamide
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester