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88184-94-5 | Pyrrolidine, 1-[[4-(hydroxyphenylmethyl)-3-pyridinyl]sulfonyl]-
CAS No: 88184-94-5 Catalog No: AG004CF1 MDL No:
Product Description
Catalog Number:
AG004CF1
Chemical Name:
Pyrrolidine, 1-[[4-(hydroxyphenylmethyl)-3-pyridinyl]sulfonyl]-
CAS Number:
88184-94-5
Molecular Formula:
C16H18N2O3S
Molecular Weight:
318.3907
IUPAC Name:
phenyl-(3-pyrrolidin-1-ylsulfonylpyridin-4-yl)methanol
InChI:
InChI=1S/C16H18N2O3S/c19-16(13-6-2-1-3-7-13)14-8-9-17-12-15(14)22(20,21)18-10-4-5-11-18/h1-3,6-9,12,16,19H,4-5,10-11H2
InChI Key:
BTCWCFSIQJQAFW-UHFFFAOYSA-N
SMILES:
OC(c1ccncc1S(=O)(=O)N1CCCC1)c1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.391g/mol
Monoisotopic Mass:
318.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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