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88327-95-1 | Glycine, N-[4-(1-piperidinylsulfonyl)phenyl]-
CAS No: 88327-95-1 Catalog No: AG0047FR MDL No:
Product Description
Catalog Number:
AG0047FR
Chemical Name:
Glycine, N-[4-(1-piperidinylsulfonyl)phenyl]-
CAS Number:
88327-95-1
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
IUPAC Name:
2-(4-piperidin-1-ylsulfonylanilino)acetic acid
InChI:
InChI=1S/C13H18N2O4S/c16-13(17)10-14-11-4-6-12(7-5-11)20(18,19)15-8-2-1-3-9-15/h4-7,14H,1-3,8-10H2,(H,16,17)
InChI Key:
CLFSTGLJNOWLLQ-UHFFFAOYSA-N
SMILES:
OC(=O)CNc1ccc(cc1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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