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811841-56-2 | 4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CAS No: 811841-56-2 Catalog No: AG00IV64 MDL No:MFCD00170628
Product Description
Catalog Number:
AG00IV64
Chemical Name:
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CAS Number:
811841-56-2
Molecular Formula:
C17H17BrN2O2S
Molecular Weight:
393.2981
MDL Number:
MFCD00170628
IUPAC Name:
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
InChI:
InChI=1S/C17H17BrN2O2S/c18-11-13-5-7-15(8-6-13)23(21,22)20-10-9-14-12-19-17-4-2-1-3-16(14)17/h1-8,12,19-20H,9-11H2
InChI Key:
FHDWKBODRXIYFC-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2c1cccc2
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.019g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.299g/mol
Monoisotopic Mass:
392.019g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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