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Home > Sulfanilamide > 871113-53-0
871113-53-0 | [1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-N-methyl-
CAS No: 871113-53-0 Catalog No: AG004P71 MDL No:
Product Description
Catalog Number:
AG004P71
Chemical Name:
[1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-N-methyl-
CAS Number:
871113-53-0
Molecular Formula:
C17H21NO3S
Molecular Weight:
319.4185
IUPAC Name:
N-(4-hydroxybutyl)-N-methyl-4-phenylbenzenesulfonamide
InChI:
InChI=1S/C17H21NO3S/c1-18(13-5-6-14-19)22(20,21)17-11-9-16(10-12-17)15-7-3-2-4-8-15/h2-4,7-12,19H,5-6,13-14H2,1H3
InChI Key:
VCPPBHQUHWBXCX-UHFFFAOYSA-N
SMILES:
OCCCCN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.124g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.419g/mol
Monoisotopic Mass:
319.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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