N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide

C15H23N3O2S — CID 17022471

IUPACN-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)cn1
InChIInChI=1S/C15H23N3O2S/c1-2-18-9-14(8-16-18)21(19,20)17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8-13,15,17H,2-7H2,1H3
InChIKeyRYNWEHUWSMCYOA-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.01
Rot. Bonds4

About N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide

N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 17022471) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID17022471
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)cn1
InChIInChI=1S/C15H23N3O2S/c1-2-18-9-14(8-16-18)21(19,20)17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8-13,15,17H,2-7H2,1H3
InChIKeyRYNWEHUWSMCYOA-UHFFFAOYSA-N
XLogP2.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-1-ethylpyrazol-4-amine
CID 43621713
N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide
CID 19583034
N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide
CID 154569315
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 17263026
2-[4-[(3-methylcyclobutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 113467121
1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide
CID 19684163
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
CID 71978358
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide (CID 17022471) is N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)cn1.
What is the InChIKey of N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is RYNWEHUWSMCYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-18-9-14(8-16-18)21(19,20)17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8-13,15,17H,2-7H2,1H3.
What are the key properties of N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide?
N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 309.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 17022471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).