4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C11H17N3O4S — CID 54921337

IUPAC4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCn1cc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C11H17N3O4S/c1-14-7-10(6-12-14)19(17,18)13-9-4-2-8(3-5-9)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16)
InChIKeyAMFGFGKQJIQWFO-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.34
Rot. Bonds4

About 4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid

4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 54921337) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID54921337
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCn1cc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C11H17N3O4S/c1-14-7-10(6-12-14)19(17,18)13-9-4-2-8(3-5-9)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16)
InChIKeyAMFGFGKQJIQWFO-UHFFFAOYSA-N
XLogP0.34
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 54921337) is 4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid is Cn1cc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is AMFGFGKQJIQWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-14-7-10(6-12-14)19(17,18)13-9-4-2-8(3-5-9)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 54921337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).