3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C14H16N2O4S — CID 63042945

IUPAC3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESN#Cc1ccccc1S(=O)(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H16N2O4S/c15-9-11-4-1-2-7-13(11)21(19,20)16-12-6-3-5-10(8-12)14(17)18/h1-2,4,7,10,12,16H,3,5-6,8H2,(H,17,18)
InChIKeyIECNJXMESHTABT-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.48
Rot. Bonds4

About 3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid

3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 63042945) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID63042945
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESN#Cc1ccccc1S(=O)(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H16N2O4S/c15-9-11-4-1-2-7-13(11)21(19,20)16-12-6-3-5-10(8-12)14(17)18/h1-2,4,7,10,12,16H,3,5-6,8H2,(H,17,18)
InChIKeyIECNJXMESHTABT-UHFFFAOYSA-N
XLogP1.48
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 63042945) is 3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid is N#Cc1ccccc1S(=O)(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is IECNJXMESHTABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c15-9-11-4-1-2-7-13(11)21(19,20)16-12-6-3-5-10(8-12)14(17)18/h1-2,4,7,10,12,16H,3,5-6,8H2,(H,17,18).
What are the key properties of 3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).