1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

C19H20ClNO5S — CID 44669133

IUPAC1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CCCCC1
InChIInChI=1S/C19H20ClNO5S/c20-16-6-2-3-7-17(16)26-14-8-10-15(11-9-14)27(24,25)21-19(18(22)23)12-4-1-5-13-19/h2-3,6-11,21H,1,4-5,12-13H2,(H,22,23)
InChIKeyZBWZAQPUUFCPLM-UHFFFAOYSA-N
MW409.89 g/mol
LogP4.20
Rot. Bonds6

About 1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 44669133) has the molecular formula C19H20ClNO5S and a molecular weight of 409.89 g/mol. Its IUPAC name is 1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID44669133
Molecular FormulaC19H20ClNO5S
Molecular Weight409.89 g/mol
Exact Mass409.08
IUPAC Name1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CCCCC1
InChIInChI=1S/C19H20ClNO5S/c20-16-6-2-3-7-17(16)26-14-8-10-15(11-9-14)27(24,25)21-19(18(22)23)12-4-1-5-13-19/h2-3,6-11,21H,1,4-5,12-13H2,(H,22,23)
InChIKeyZBWZAQPUUFCPLM-UHFFFAOYSA-N
XLogP4.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (CID 44669133) is 1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CCCCC1.
What is the InChIKey of 1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ZBWZAQPUUFCPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5S/c20-16-6-2-3-7-17(16)26-14-8-10-15(11-9-14)27(24,25)21-19(18(22)23)12-4-1-5-13-19/h2-3,6-11,21H,1,4-5,12-13H2,(H,22,23).
What are the key properties of 1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 409.89 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 44669133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).