Home Sulfos Benzoic acid, 3-[[(1-methylethyl)sulfonyl]amino]-

Benzoic acid, 3-[[(1-methylethyl)sulfonyl]amino]-

CAS No.:
99642-25-8
Catalog Number:
AG005S9O
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG005S9O
Chemical Name:
Benzoic acid, 3-[[(1-methylethyl)sulfonyl]amino]-
CAS Number:
99642-25-8
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD12762762
IUPAC Name:
3-(propan-2-ylsulfonylamino)benzoic acid
InChI:
InChI=1S/C10H13NO4S/c1-7(2)16(14,15)11-9-5-3-4-8(6-9)10(12)13/h3-7,11H,1-2H3,(H,12,13)
InChI Key:
NLNPMQYZTCVRSB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)NS(=O)(=O)C(C)C
Properties
Complexity:
344  
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