4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid

C14H20N2O5S — CID 122071113

IUPAC4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccncc1S(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O5S/c1-2-21-12-7-8-15-9-13(12)22(19,20)16-11-5-3-10(4-6-11)14(17)18/h7-11,16H,2-6H2,1H3,(H,17,18)
InChIKeyOMXGAKWURNCSFL-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.40
Rot. Bonds6

About 4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid

4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 122071113) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID122071113
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccncc1S(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O5S/c1-2-21-12-7-8-15-9-13(12)22(19,20)16-11-5-3-10(4-6-11)14(17)18/h7-11,16H,2-6H2,1H3,(H,17,18)
InChIKeyOMXGAKWURNCSFL-UHFFFAOYSA-N
XLogP1.40
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide
CID 167932143
(2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid
CID 122069813
(2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 122069680
(2S,3S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]-3-methylpentanoic acid
CID 122069871
4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808405
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071108
4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 120782359
ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate
CID 25043133
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 122071113) is 4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid is CCOc1ccncc1S(=O)(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is OMXGAKWURNCSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-2-21-12-7-8-15-9-13(12)22(19,20)16-11-5-3-10(4-6-11)14(17)18/h7-11,16H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122071113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).