Indane-5-sulphonamide

CAT: 0127-OR110570-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR110570-01Size:250 mg

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CAS Number

35203-93-1

Synonyms

2,3-Dihydro-1H-indene-5-sulphonamide

MDL Number

MFCD00021245

Purity

=95%

Smiles

NS(=O)(=O)c1ccc2CCCc2c1

Chemical Information

Indane-5-sulfonamide

CAS Number	35203-93-1
PubChem CID	96876
IUPAC Name	2,3-dihydro-1H-indene-5-sulfonamide
Molecular Formula	C9H11NO2S
Molecular Weight	197.26
XLogP	1.3
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	280

SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)

InChIKey

XVQJTFMKKZBBSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35203-93-1

CID: 96876

Formula: C9H11NO2S

MW: 197.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.26
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	197.05104977
Monoisotopic Mass	197.05104977
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	280
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
OR305221	1H-Indole-5-sulphonamide
OR1002923-01	Indane-5-carbonitrile
OR12012-01	1-Acetylindoline-5-sulphonamide
OR110640-01	5-Methylthiophene-2-sulphonamide
OR51972-01	5-Methylpyridine-2-sulphonamide
OR9574	5-Bromopyridine-3-sulphonamide
OR4093-01	5-Chlorothiophene-2-sulphonamide
OR4076-01	5-Bromothiophene-2-sulphonamide
OR3684-01	Indane-5-sulphonyl chloride
OR924196-01	Ethyl indane-5-carboxylate

Catalog	Name
KBA20393	Indane-5-sulphonamide
HY-132155-01	Indan-5-sulphonamide
sc-351795	Indane-5-carbohydrazide
DCA59569	5-Methylthiophene-2-sulphonamide
MCA00933-01	5-Bromopyridine-3-sulphonamide
sc-279208	Indane-5-carboxylic acid
sc-279209	Indane-5-sulfonyl chloride
452293-01	Indane-5-carboxylic Acid
TRC-I508000-100G	Indane
sc-262347	5- (Phenylthio) thiophene-2-sulphonamide