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119043-16-2 | Benzenesulfonyl chloride, 4-[2-[[(3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]-
CAS No: 119043-16-2 Catalog No: AG000I48 MDL No:
Product Description
Catalog Number:
AG000I48
Chemical Name:
Benzenesulfonyl chloride, 4-[2-[[(3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]-
CAS Number:
119043-16-2
Molecular Formula:
C16H19ClN2O4S
Molecular Weight:
370.8511
IUPAC Name:
4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]benzenesulfonyl chloride
InChI:
InChI=1S/C16H19ClN2O4S/c1-3-14-11(2)10-19(15(14)20)16(21)18-9-8-12-4-6-13(7-5-12)24(17,22)23/h4-7H,3,8-10H2,1-2H3,(H,18,21)
InChI Key:
KEFLFSMLSAEGQB-UHFFFAOYSA-N
SMILES:
CCC1=C(C)CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)Cl
EC Number:
601-581-9
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.848g/mol
Monoisotopic Mass:
370.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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