Sulfisomidine, Sodium

CAT: 0024-sc-220169Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-220169Size:10 mg

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CAS Number

2462-17-1

Chemical Information

Sulfisomidine Sodium

CAS Number	2462-17-1
PubChem CID	3543157
IUPAC Name	sodium (4-aminophenyl)sulfonyl-(2,6-dimethylpyrimidin-4-yl)azanide
Molecular Formula	C12H13N4NaO2S
Molecular Weight	300.31
Topological Polar Surface Area	95.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	393

SMILES

CC1=CC(=NC(=N1)C)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+]

InChI

InChI=1S/C12H13N4O2S.Na/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3;/q-1;+1

InChIKey

XTXYCJOBMKKQOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2462-17-1

CID: 3543157

Formula: C12H13N4NaO2S

MW: 300.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.31
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	300.06569113
Monoisotopic Mass	300.06569113
Topological Polar Surface Area	95.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	393
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	2
Compound Is Canonicalized	Yes

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Catalog	Name
TRC-S699375-10MG	Sulfisomidine Sodium
AR-S11008-01	Sulfisomidine Sodium Salt
S8016-40	Sulfisomidine, Sodium (4-Amino-N- (2,6-dimethyl-4-pyimidinyl) benzenesulfonamide Sodium)
MBS6119256-01	Sulfisomidine, Sodium (4-Amino-N-(2,6-dimethyl-4-pyimidinyl)benzenesulfonamide Sodium)
M14793-01	Sulfisomidine
TRC-S699379-100MG	Sulfisomidine-d4
TRC-S699377-25MG	Sulfisomidine-13C6
1191110 500	Sodium Metabisulphite (Sodium Disulphite, Sodium Pyrosulphite)
RM-T081600-01	Thiopental Sodium And Sodium Carbonate
21121001-100g	Sodium caprylate- (Sodium octanoate)