N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide

C13H23N3O2S — CID 71782938

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C13H23N3O2S/c1-11-10-12(2)16(15-11)9-8-14-19(17,18)13-6-4-3-5-7-13/h10,13-14H,3-9H2,1-2H3
InChIKeyDJNQWQRRQAQCGP-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.75
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide (PubChem CID 71782938) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide
PubChem CID71782938
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C13H23N3O2S/c1-11-10-12(2)16(15-11)9-8-14-19(17,18)13-6-4-3-5-7-13/h10,13-14H,3-9H2,1-2H3
InChIKeyDJNQWQRRQAQCGP-UHFFFAOYSA-N
XLogP1.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide (CID 71782938) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide is Cc1cc(C)n(CCNS(=O)(=O)C2CCCCC2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide?
The InChIKey is DJNQWQRRQAQCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-11-10-12(2)16(15-11)9-8-14-19(17,18)13-6-4-3-5-7-13/h10,13-14H,3-9H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanesulfonamide is sourced from PubChem (CID 71782938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).