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100078-25-9 | Benzenesulfonamide, 5-(5-chloro-1-oxopentyl)-2-methoxy-
CAS No: 100078-25-9 Catalog No: AG0000UQ MDL No:
Product Description
Catalog Number:
AG0000UQ
Chemical Name:
Benzenesulfonamide, 5-(5-chloro-1-oxopentyl)-2-methoxy-
CAS Number:
100078-25-9
Molecular Formula:
C12H16ClNO4S
Molecular Weight:
305.7777
IUPAC Name:
5-(5-chloropentanoyl)-2-methoxybenzenesulfonamide
InChI:
InChI=1S/C12H16ClNO4S/c1-18-11-6-5-9(8-12(11)19(14,16)17)10(15)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3,(H2,14,16,17)
InChI Key:
XEWDUSAOACYRLP-UHFFFAOYSA-N
SMILES:
ClCCCCC(=O)c1ccc(c(c1)S(=O)(=O)N)OC
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.773g/mol
Monoisotopic Mass:
305.049g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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