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661475-56-5 | N-[2-(1H-indol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzene-1-sulfonamide
CAS No: 661475-56-5 Catalog No: AG00J025 MDL No:MFCD00120121
Product Description
Catalog Number:
AG00J025
Chemical Name:
N-[2-(1H-indol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzene-1-sulfonamide
CAS Number:
661475-56-5
Molecular Formula:
C21H26N2O2S
Molecular Weight:
370.5083
MDL Number:
MFCD00120121
IUPAC Name:
N-[2-(1H-indol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
InChI:
InChI=1S/C21H26N2O2S/c1-13-14(2)16(4)21(17(5)15(13)3)26(24,25)23-11-10-18-12-22-20-9-7-6-8-19(18)20/h6-9,12,22-23H,10-11H2,1-5H3
InChI Key:
LKHSEMGZPNUERN-UHFFFAOYSA-N
SMILES:
Cc1c(C)c(C)c(c(c1S(=O)(=O)NCCc1c[nH]c2c1cccc2)C)C
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.171g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.511g/mol
Monoisotopic Mass:
370.171g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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