2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid

C11H17N3O4S — CID 102690730

IUPAC2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccn[nH]1)C1CCCCC1
InChIInChI=1S/C11H17N3O4S/c15-11(16)10(8-4-2-1-3-5-8)14-19(17,18)9-6-7-12-13-9/h6-8,10,14H,1-5H2,(H,12,13)(H,15,16)
InChIKeyVRXQLRJBIXJTTG-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.72
Rot. Bonds5

About 2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid

2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid (PubChem CID 102690730) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
PubChem CID102690730
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccn[nH]1)C1CCCCC1
InChIInChI=1S/C11H17N3O4S/c15-11(16)10(8-4-2-1-3-5-8)14-19(17,18)9-6-7-12-13-9/h6-8,10,14H,1-5H2,(H,12,13)(H,15,16)
InChIKeyVRXQLRJBIXJTTG-UHFFFAOYSA-N
XLogP0.72
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid (CID 102690730) is 2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid is O=C(O)C(NS(=O)(=O)c1ccn[nH]1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid?
The InChIKey is VRXQLRJBIXJTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c15-11(16)10(8-4-2-1-3-5-8)14-19(17,18)9-6-7-12-13-9/h6-8,10,14H,1-5H2,(H,12,13)(H,15,16).
What are the key properties of 2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid?
2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid has a molecular weight of 287.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid is sourced from PubChem (CID 102690730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).