Famotidine Impurity 15

CAT: 1299-RM-F130415-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F130415-01Size:10 mg

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CAS Number

88068-99-9

Synonyms

3-chloro-N-sulfamoylpropanamide

Molecular Formula

C3H7ClN2O3S

Molecular Weight

186.62

Target Alternative Name

Famotidine

Product Name Synonym

3-chloro-N-sulfamoylpropanamide

Chemical Information

3-Chloro-N-sulfamoylpropanamide

CAS Number	88068-99-9
PubChem CID	54403769
IUPAC Name	3-chloro-N-sulfamoylpropanamide
Molecular Formula	C3H7ClN2O3S
Molecular Weight	186.62
XLogP	-1
Topological Polar Surface Area	97.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	206

SMILES

C(CCl)C(=O)NS(=O)(=O)N

InChI

InChI=1S/C3H7ClN2O3S/c4-2-1-3(7)6-10(5,8)9/h1-2H2,(H,6,7)(H2,5,8,9)

InChIKey

VPFQPGCJDLFJDK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88068-99-9

CID: 54403769

Formula: C3H7ClN2O3S

MW: 186.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.62
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	185.9865910
Monoisotopic Mass	185.9865910
Topological Polar Surface Area	97.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	206
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