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88345-60-2 | Benzenesulfonamide, 3-(butylamino)-2-chloro-4-phenoxy-
CAS No: 88345-60-2 Catalog No: AG0047Q6 MDL No:
Product Description
Catalog Number:
AG0047Q6
Chemical Name:
Benzenesulfonamide, 3-(butylamino)-2-chloro-4-phenoxy-
CAS Number:
88345-60-2
Molecular Formula:
C16H19ClN2O3S
Molecular Weight:
354.8517
IUPAC Name:
3-(butylamino)-2-chloro-4-phenoxybenzenesulfonamide
InChI:
InChI=1S/C16H19ClN2O3S/c1-2-3-11-19-16-13(22-12-7-5-4-6-8-12)9-10-14(15(16)17)23(18,20)21/h4-10,19H,2-3,11H2,1H3,(H2,18,20,21)
InChI Key:
RJMKLTYUUXZDAU-UHFFFAOYSA-N
SMILES:
CCCCNc1c(ccc(c1Cl)S(=O)(=O)N)Oc1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.849g/mol
Monoisotopic Mass:
354.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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