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Home > Indoles and Oxindole > 661467-90-9
661467-90-9 | 1H-Indole-2-carboxamide, 3-(1-azetidinylsulfonyl)-5-chloro-
CAS No: 661467-90-9 Catalog No: AG00H7VR MDL No:
Product Description
Catalog Number:
AG00H7VR
Chemical Name:
1H-Indole-2-carboxamide, 3-(1-azetidinylsulfonyl)-5-chloro-
CAS Number:
661467-90-9
Molecular Formula:
C12H12ClN3O3S
Molecular Weight:
313.7600
IUPAC Name:
3-(azetidin-1-ylsulfonyl)-5-chloro-1H-indole-2-carboxamide
InChI:
InChI=1S/C12H12ClN3O3S/c13-7-2-3-9-8(6-7)11(10(15-9)12(14)17)20(18,19)16-4-1-5-16/h2-3,6,15H,1,4-5H2,(H2,14,17)
InChI Key:
CQIBAQUOQBVTGN-UHFFFAOYSA-N
SMILES:
NC(=O)c1[nH]c2c(c1S(=O)(=O)N1CCC1)cc(cc2)Cl
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.756g/mol
Monoisotopic Mass:
313.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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