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

C20H23NO6S — CID 44669137

IUPAC1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C20H23NO6S/c1-26-17-7-3-4-8-18(17)27-15-9-11-16(12-10-15)28(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)
InChIKeyXATZWHDKMQOVQQ-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.55
Rot. Bonds7

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

1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 44669137) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID44669137
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C20H23NO6S/c1-26-17-7-3-4-8-18(17)27-15-9-11-16(12-10-15)28(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)
InChIKeyXATZWHDKMQOVQQ-UHFFFAOYSA-N
XLogP3.55
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (CID 44669137) is 1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is COc1ccccc1Oc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is XATZWHDKMQOVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-26-17-7-3-4-8-18(17)27-15-9-11-16(12-10-15)28(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).
What are the key properties of 1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 405.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 44669137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).