N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide

C18H29N3O2S — CID 19583034

IUPACN-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnn(CC)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3O2S/c1-3-17(20-24(22,23)16-11-19-21(4-2)12-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h11-15,17,20H,3-10H2,1-2H3
InChIKeyJFZWDTYMMOJHIQ-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.18
Rot. Bonds6

About N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide

N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 19583034) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID19583034
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnn(CC)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3O2S/c1-3-17(20-24(22,23)16-11-19-21(4-2)12-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h11-15,17,20H,3-10H2,1-2H3
InChIKeyJFZWDTYMMOJHIQ-UHFFFAOYSA-N
XLogP3.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22201508
N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide
CID 17022471
N-[1-(1-adamantyl)propyl]-2,4-dimethylbenzenesulfonamide
CID 22201487
N-[1-(1-adamantyl)propyl]ethanesulfonamide
CID 22201503
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322
1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 131938947
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 17263026
N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide
CID 52530427
N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
CID 71978358
1-[1-[1-(1-adamantyl)propylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504980
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide
CID 71974660
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide (CID 19583034) is N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide is CCC(NS(=O)(=O)c1cnn(CC)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is JFZWDTYMMOJHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-3-17(20-24(22,23)16-11-19-21(4-2)12-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h11-15,17,20H,3-10H2,1-2H3.
What are the key properties of N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide?
N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 351.52 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19583034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).