N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide

C16H22N4O2S — CID 71807963

IUPACN-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2ccccn2)n1)C1CCCCC1
InChIInChI=1S/C16H22N4O2S/c21-23(22,14-6-2-1-3-7-14)18-11-13-20-12-9-16(19-20)15-8-4-5-10-17-15/h4-5,8-10,12,14,18H,1-3,6-7,11,13H2
InChIKeyOCDFTZDHNHIJRX-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide

N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide (PubChem CID 71807963) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide
PubChem CID71807963
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2ccccn2)n1)C1CCCCC1
InChIInChI=1S/C16H22N4O2S/c21-23(22,14-6-2-1-3-7-14)18-11-13-20-12-9-16(19-20)15-8-4-5-10-17-15/h4-5,8-10,12,14,18H,1-3,6-7,11,13H2
InChIKeyOCDFTZDHNHIJRX-UHFFFAOYSA-N
XLogP2.20
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide (CID 71807963) is N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide is O=S(=O)(NCCn1ccc(-c2ccccn2)n1)C1CCCCC1.
What is the InChIKey of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide?
The InChIKey is OCDFTZDHNHIJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-23(22,14-6-2-1-3-7-14)18-11-13-20-12-9-16(19-20)15-8-4-5-10-17-15/h4-5,8-10,12,14,18H,1-3,6-7,11,13H2.
What are the key properties of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide?
N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclohexanesulfonamide is sourced from PubChem (CID 71807963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).