Home Sulfos N-(2-chloroacetyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide

N-(2-chloroacetyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide

CAS No.:
1000932-87-5
Catalog Number:
AG019LC4
Molecular Formula:
C12H16ClN3O5S
Molecular Weight:
349.7905
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Product Description
Catalog Number:
AG019LC4
Chemical Name:
N-(2-chloroacetyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CAS Number:
1000932-87-5
Molecular Formula:
C12H16ClN3O5S
Molecular Weight:
349.7905
MDL Number:
MFCD09863411
IUPAC Name:
N-(2-chloroacetyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
InChI:
InChI=1S/C12H16ClN3O5S/c1-15-8-9(6-10(15)12(18)14-11(17)7-13)22(19,20)16-2-4-21-5-3-16/h6,8H,2-5,7H2,1H3,(H,14,17,18)
InChI Key:
NPNTTXBIIUFHFT-UHFFFAOYSA-N
SMILES:
ClCC(=O)NC(=O)c1cc(cn1C)S(=O)(=O)N1CCOCC1
Properties
Complexity:
529  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.05g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
349.786g/mol
Monoisotopic Mass:
349.05g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties