Home Other Building Blocks 3-(cyclopentylsulfamoyl)-4-methylbenzoic acid

3-(cyclopentylsulfamoyl)-4-methylbenzoic acid

CAS No.:
436095-79-3
Catalog Number:
AG019YRE
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
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Product Description
Catalog Number:
AG019YRE
Chemical Name:
3-(cyclopentylsulfamoyl)-4-methylbenzoic acid
CAS Number:
436095-79-3
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
MDL Number:
MFCD04035411
IUPAC Name:
3-(cyclopentylsulfamoyl)-4-methylbenzoic acid
InChI:
InChI=1S/C13H17NO4S/c1-9-6-7-10(13(15)16)8-12(9)19(17,18)14-11-4-2-3-5-11/h6-8,11,14H,2-5H2,1H3,(H,15,16)
InChI Key:
QHWAFWGVWZNRSU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)S(=O)(=O)NC1CCCC1)C
Properties
Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties