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183560-60-3 | Tridecanamide, N-[2-[4-[(aminosulfonyl)oxy]phenyl]ethyl]-
CAS No: 183560-60-3 Catalog No: AG0027OV MDL No:
Product Description
Catalog Number:
AG0027OV
Chemical Name:
Tridecanamide, N-[2-[4-[(aminosulfonyl)oxy]phenyl]ethyl]-
CAS Number:
183560-60-3
Molecular Formula:
C21H36N2O4S
Molecular Weight:
412.5865
IUPAC Name:
[4-[2-(tridecanoylamino)ethyl]phenyl] sulfamate
InChI:
InChI=1S/C21H36N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-21(24)23-18-17-19-13-15-20(16-14-19)27-28(22,25)26/h13-16H,2-12,17-18H2,1H3,(H,23,24)(H2,22,25,26)
InChI Key:
OJSPHDOZFQKYKM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(=O)NCCc1ccc(cc1)OS(=O)(=O)N
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.24g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
412.589g/mol
Monoisotopic Mass:
412.24g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Literature
| Title | Journal |
|---|---|
| Inhibition of steryl sulfatase activity in LNCaP human prostate cancer cells. | Steroids 20020901 |
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