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Home > Sulfanilamide > 85414-67-1
85414-67-1 | Benzenesulfonamide, 2-phenoxy-3-(1-pyrrolidinyl)-5-(1H-tetrazol-5-yl)-
CAS No: 85414-67-1 Catalog No: AG008F4N MDL No:
Product Description
Catalog Number:
AG008F4N
Chemical Name:
Benzenesulfonamide, 2-phenoxy-3-(1-pyrrolidinyl)-5-(1H-tetrazol-5-yl)-
CAS Number:
85414-67-1
Molecular Formula:
C17H18N6O3S
Molecular Weight:
386.4282
IUPAC Name:
2-phenoxy-3-pyrrolidin-1-yl-5-(2H-tetrazol-5-yl)benzenesulfonamide
InChI:
InChI=1S/C17H18N6O3S/c18-27(24,25)15-11-12(17-19-21-22-20-17)10-14(23-8-4-5-9-23)16(15)26-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H2,18,24,25)(H,19,20,21,22)
InChI Key:
ZCNZKRFRBYDVAZ-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1cc(cc(c1Oc1ccccc1)N1CCCC1)c1[nH]nnn1
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.116g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.43g/mol
Monoisotopic Mass:
386.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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