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89784-45-2 | Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(2-ethylhexyl)-
CAS No: 89784-45-2 Catalog No: AG00405Q MDL No:
Product Description
Catalog Number:
AG00405Q
Chemical Name:
Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(2-ethylhexyl)-
CAS Number:
89784-45-2
Molecular Formula:
C18H31NO2S
Molecular Weight:
325.5092
IUPAC Name:
4-tert-butyl-N-(2-ethylhexyl)benzenesulfonamide
InChI:
InChI=1S/C18H31NO2S/c1-6-8-9-15(7-2)14-19-22(20,21)17-12-10-16(11-13-17)18(3,4)5/h10-13,15,19H,6-9,14H2,1-5H3
InChI Key:
QRLASEMLNFOFHC-UHFFFAOYSA-N
SMILES:
CCCCC(CNS(=O)(=O)c1ccc(cc1)C(C)(C)C)CC
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.208g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.511g/mol
Monoisotopic Mass:
325.208g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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