1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid

C11H17N3O4S — CID 102690678

IUPAC1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccn[nH]2)CCCCCC1
InChIInChI=1S/C11H17N3O4S/c15-10(16)11(6-3-1-2-4-7-11)14-19(17,18)9-5-8-12-13-9/h5,8,14H,1-4,6-7H2,(H,12,13)(H,15,16)
InChIKeyYNEVSIBUZOFLSB-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.87
Rot. Bonds4

About 1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid

1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid (PubChem CID 102690678) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid
PubChem CID102690678
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccn[nH]2)CCCCCC1
InChIInChI=1S/C11H17N3O4S/c15-10(16)11(6-3-1-2-4-7-11)14-19(17,18)9-5-8-12-13-9/h5,8,14H,1-4,6-7H2,(H,12,13)(H,15,16)
InChIKeyYNEVSIBUZOFLSB-UHFFFAOYSA-N
XLogP0.87
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid (CID 102690678) is 1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccn[nH]2)CCCCCC1.
What is the InChIKey of 1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid?
The InChIKey is YNEVSIBUZOFLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c15-10(16)11(6-3-1-2-4-7-11)14-19(17,18)9-5-8-12-13-9/h5,8,14H,1-4,6-7H2,(H,12,13)(H,15,16).
What are the key properties of 1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid?
1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 102690678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).