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114149-53-0 | 1H-Indene-5-butanoic acid, 2-[[(4-chlorophenyl)sulfonyl]amino]-2,3-dihydro-
CAS No: 114149-53-0 Catalog No: AG000AOF MDL No:
Product Description
Catalog Number:
AG000AOF
Chemical Name:
1H-Indene-5-butanoic acid, 2-[[(4-chlorophenyl)sulfonyl]amino]-2,3-dihydro-
CAS Number:
114149-53-0
Molecular Formula:
C19H20ClNO4S
Molecular Weight:
393.8844
IUPAC Name:
4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid
InChI:
InChI=1S/C19H20ClNO4S/c20-16-6-8-18(9-7-16)26(24,25)21-17-11-14-5-4-13(10-15(14)12-17)2-1-3-19(22)23/h4-10,17,21H,1-3,11-12H2,(H,22,23)
InChI Key:
SYJTYZKWYGESQH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ccc2c(c1)CC(C2)NS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.08g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.882g/mol
Monoisotopic Mass:
393.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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