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209968-27-4 | BenzenesulfonaMide, 4-broMo-N-[2-(1-pyrrolidinyl)ethyl]-
CAS No: 209968-27-4 Catalog No: AG002KHU MDL No:
Product Description
Catalog Number:
AG002KHU
Chemical Name:
BenzenesulfonaMide, 4-broMo-N-[2-(1-pyrrolidinyl)ethyl]-
CAS Number:
209968-27-4
Molecular Formula:
C12H17BrN2O2S
Molecular Weight:
333.2446
IUPAC Name:
4-bromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
InChI:
InChI=1S/C12H17BrN2O2S/c13-11-3-5-12(6-4-11)18(16,17)14-7-10-15-8-1-2-9-15/h3-6,14H,1-2,7-10H2
InChI Key:
DIYRIYJMMLUTQP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)NCCN1CCCC1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.019g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.244g/mol
Monoisotopic Mass:
332.019g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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