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885268-80-4 | 1-((4-(o-Tolyloxy)phenyl)sulfonamido)cyclohexane-1-carboxylic acid
CAS No: 885268-80-4 Catalog No: AG01FN3H MDL No:MFCD06409349
Product Description
Catalog Number:
AG01FN3H
Chemical Name:
1-((4-(o-Tolyloxy)phenyl)sulfonamido)cyclohexane-1-carboxylic acid
CAS Number:
885268-80-4
Molecular Formula:
C20H23NO5S
Molecular Weight:
389.4653
MDL Number:
MFCD06409349
IUPAC Name:
1-[[4-(2-methylphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C20H23NO5S/c1-15-7-3-4-8-18(15)26-16-9-11-17(12-10-16)27(24,25)21-20(19(22)23)13-5-2-6-14-20/h3-4,7-12,21H,2,5-6,13-14H2,1H3,(H,22,23)
InChI Key:
SLVDFVKLVVTVSA-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCCC1)NS(=O)(=O)c1ccc(cc1)Oc1ccccc1C
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.13g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
389.466g/mol
Monoisotopic Mass:
389.13g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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