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16170-33-5 | 2-Benzothiazolesulfonamide, N-cyclohexyl-
CAS No: 16170-33-5 Catalog No: AG001VUC MDL No:
Product Description
Catalog Number:
AG001VUC
Chemical Name:
2-Benzothiazolesulfonamide, N-cyclohexyl-
CAS Number:
16170-33-5
Molecular Formula:
C13H16N2O2S2
Molecular Weight:
296.4083
IUPAC Name:
N-cyclohexyl-1,3-benzothiazole-2-sulfonamide
InChI:
InChI=1S/C13H16N2O2S2/c16-19(17,15-10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)18-13/h4-5,8-10,15H,1-3,6-7H2
InChI Key:
STSDHUBQQWBRBH-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1nc2c(s1)cccc2)NC1CCCCC1
NSC Number:
70175
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.065g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.403g/mol
Monoisotopic Mass:
296.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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