FSG67

CAT: 0127-BUP22416-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22416-05Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1158383-34-6

Synonyms

FSG 67

MDL Number

MFCD34676441

Purity

≥98%

Smiles

O=C (O) C=1C=CC=CC1NS (=O) (=O) CCCCCCCCC

Chemical Information

2-(Nonylsulfonamido)benzoic acid

an anorexic drug that inhibits glycerol-3-phosphate acyltransferase; structure in first source

CAS Number	1158383-34-6
PubChem CID	44139871
IUPAC Name	2-(nonylsulfonylamino)benzoic acid
Molecular Formula	C16H25NO4S
Molecular Weight	327.4
XLogP	4.9
Topological Polar Surface Area	91.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	22
Formal Charge	0
Complexity	416

SMILES

CCCCCCCCCS(=O)(=O)NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C16H25NO4S/c1-2-3-4-5-6-7-10-13-22(20,21)17-15-12-9-8-11-14(15)16(18)19/h8-9,11-12,17H,2-7,10,13H2,1H3,(H,18,19)

InChIKey

WNFXEGWGYFRRJC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1158383-34-6

CID: 44139871

Formula: C16H25NO4S

MW: 327.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.4
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	327.15042945
Monoisotopic Mass	327.15042945
Topological Polar Surface Area	91.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	416
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
C01185-01	FSG67