Home Sulfos 2-(3-Bromophenyl)-4,4-dimethyl-n-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

2-(3-Bromophenyl)-4,4-dimethyl-n-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

CAS No.:
1391609-03-2
Catalog Number:
AG00HVE6
Molecular Formula:
C20H25BrN2O2S
Molecular Weight:
437.3937
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$213
- +
1g
97%
1 week
United States
$549
- +
5g
97%
1 week
United States
$1627
- +
Product Description
Catalog Number:
AG00HVE6
Chemical Name:
2-(3-Bromophenyl)-4,4-dimethyl-n-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CAS Number:
1391609-03-2
Molecular Formula:
C20H25BrN2O2S
Molecular Weight:
437.3937
MDL Number:
MFCD28502402
IUPAC Name:
2-(3-bromophenyl)-4,4-dimethyl-N-propan-2-yl-2,3-dihydro-1H-quinoline-6-sulfonamide
InChI:
InChI=1S/C20H25BrN2O2S/c1-13(2)23-26(24,25)16-8-9-18-17(11-16)20(3,4)12-19(22-18)14-6-5-7-15(21)10-14/h5-11,13,19,22-23H,12H2,1-4H3
InChI Key:
JIJWPFJOTYHESL-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(N2)c1cccc(c1)Br)C
Properties
Complexity:
587  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.082g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
437.396g/mol
Monoisotopic Mass:
436.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties