Home Sulfos 2-[(4-tert-butylphenyl)formamido]-4-methanesulfonylbutanoic acid

2-[(4-tert-butylphenyl)formamido]-4-methanesulfonylbutanoic acid

CAS No.:
1032040-46-2
Catalog Number:
AG019PBC
Molecular Formula:
C16H23NO5S
Molecular Weight:
341.4225
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Product Description
Catalog Number:
AG019PBC
Chemical Name:
2-[(4-tert-butylphenyl)formamido]-4-methanesulfonylbutanoic acid
CAS Number:
1032040-46-2
Molecular Formula:
C16H23NO5S
Molecular Weight:
341.4225
MDL Number:
MFCD09040348
IUPAC Name:
2-[(4-tert-butylbenzoyl)amino]-4-methylsulfonylbutanoic acid
InChI:
InChI=1S/C16H23NO5S/c1-16(2,3)12-7-5-11(6-8-12)14(18)17-13(15(19)20)9-10-23(4,21)22/h5-8,13H,9-10H2,1-4H3,(H,17,18)(H,19,20)
InChI Key:
NUHXLIGAMZXDEO-UHFFFAOYSA-N
SMILES:
OC(=O)C(NC(=O)c1ccc(cc1)C(C)(C)C)CCS(=O)(=O)C
Properties
Complexity:
522  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.13g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
341.422g/mol
Monoisotopic Mass:
341.13g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties