Benzolamide

CAT: 0127-BUP10573-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10573-03Size:25 mg

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CAS Number

3368-13-6

Synonyms

CL-11366, W 1803, CL 11366, CL11366, W-1803

Purity

=95%

Smiles

NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1

Chemical Information

Benzolamide

Selective renal carbonic anhydrase inhibitor. It may also be of use in certain cases of respiratory failure.

CAS Number	3368-13-6
PubChem CID	18794
IUPAC Name	5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
Molecular Formula	C8H8N4O4S3
Molecular Weight	320.4
XLogP	0.1
Topological Polar Surface Area	177
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	503

SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N

InChI

InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)

InChIKey

PWDGTQXZLNDOKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3368-13-6

CID: 18794

Formula: C8H8N4O4S3

MW: 320.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.4
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	319.97076827
Monoisotopic Mass	319.97076827
Topological Polar Surface Area	177 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	503
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
OR16591-01	Benzylamine
BUP17711-01	Benzamide
OR21498-01	Benzamide
BUP16110	Benzylamine hydrochloride
PC412021-01	(Benzylamine) trifluoroboron
OR1012373	Benzylamine Hydrobromide
OR27725-01	Benzylamine hydrochloride
OR1037221	Benzamide-15N
PC53082	3- (Trifluoromethylsulfonyl) benzylamine
OR6190	4- (Bromomethyl) benzylamine

Catalog	Name
BA7208-50	Benzolamide
HY-118467R	Benzolamide (Standard)