Home Sulfos 4-(propane-2-sulfonamido)benzoic acid

4-(propane-2-sulfonamido)benzoic acid

CAS No.:
892878-61-4
Catalog Number:
AG01AAB3
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AAB3
Chemical Name:
4-(propane-2-sulfonamido)benzoic acid
CAS Number:
892878-61-4
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD12799040
IUPAC Name:
4-(propan-2-ylsulfonylamino)benzoic acid
InChI:
InChI=1S/C10H13NO4S/c1-7(2)16(14,15)11-9-5-3-8(4-6-9)10(12)13/h3-7,11H,1-2H3,(H,12,13)
InChI Key:
YSHCMQHKKPQZHE-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)Nc1ccc(cc1)C(=O)O)C
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties