N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide

C14H21N3O2S — CID 19582809

IUPACN-(1-adamantyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C14H21N3O2S/c1-17-9-13(8-15-17)20(18,19)16-14-5-10-2-11(6-14)4-12(3-10)7-14/h8-12,16H,2-7H2,1H3
InChIKeyGENRLYVYJWHGSJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.67
Rot. Bonds3

About N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide

N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 19582809) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-methylpyrazole-4-sulfonamide
PubChem CID19582809
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(1-adamantyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C14H21N3O2S/c1-17-9-13(8-15-17)20(18,19)16-14-5-10-2-11(6-14)4-12(3-10)7-14/h8-12,16H,2-7H2,1H3
InChIKeyGENRLYVYJWHGSJ-UHFFFAOYSA-N
XLogP1.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide (CID 19582809) is N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is GENRLYVYJWHGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-17-9-13(8-15-17)20(18,19)16-14-5-10-2-11(6-14)4-12(3-10)7-14/h8-12,16H,2-7H2,1H3.
What are the key properties of N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide?
N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19582809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).