N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide

C17H27N3O2S — CID 17022503

IUPACN-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C17H27N3O2S/c1-3-20-12(2)16(10-18-20)23(21,22)19-11-17-7-13-4-14(8-17)6-15(5-13)9-17/h10,13-15,19H,3-9,11H2,1-2H3
InChIKeyGTNJTDOSMMCAHE-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.71
Rot. Bonds5

About N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide

N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 17022503) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID17022503
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C17H27N3O2S/c1-3-20-12(2)16(10-18-20)23(21,22)19-11-17-7-13-4-14(8-17)6-15(5-13)9-17/h10,13-15,19H,3-9,11H2,1-2H3
InChIKeyGTNJTDOSMMCAHE-UHFFFAOYSA-N
XLogP2.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 17022503) is N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1C.
What is the InChIKey of N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is GTNJTDOSMMCAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-3-20-12(2)16(10-18-20)23(21,22)19-11-17-7-13-4-14(8-17)6-15(5-13)9-17/h10,13-15,19H,3-9,11H2,1-2H3.
What are the key properties of N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 337.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 17022503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).