Home Sulfos 4-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzene-1-sulfonamide

4-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzene-1-sulfonamide

CAS No.:
785792-42-9
Catalog Number:
AG00ICYG
Molecular Formula:
C14H15ClN2O3S
Molecular Weight:
326.7985
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Product Description
Catalog Number:
AG00ICYG
Chemical Name:
4-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzene-1-sulfonamide
CAS Number:
785792-42-9
Molecular Formula:
C14H15ClN2O3S
Molecular Weight:
326.7985
MDL Number:
MFCD06350999
IUPAC Name:
4-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzenesulfonamide
InChI:
InChI=1S/C14H15ClN2O3S/c1-9-7-13(14(18)8-15)10(2)17(9)11-3-5-12(6-4-11)21(16,19)20/h3-7H,8H2,1-2H3,(H2,16,19,20)
InChI Key:
PUOAXAVWAHEOMF-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)C
Properties
Complexity:
483  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.049g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.795g/mol
Monoisotopic Mass:
326.049g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties