N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide

C15H23N3O2S — CID 17022485

IUPACN-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H23N3O2S/c1-9-14(8-18(2)16-9)21(19,20)17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8,10-13,15,17H,3-7H2,1-2H3
InChIKeyLFIXDOXROLMKDR-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.83
Rot. Bonds3

About N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide

N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 17022485) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID17022485
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H23N3O2S/c1-9-14(8-18(2)16-9)21(19,20)17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8,10-13,15,17H,3-7H2,1-2H3
InChIKeyLFIXDOXROLMKDR-UHFFFAOYSA-N
XLogP1.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 17022485) is N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is LFIXDOXROLMKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9-14(8-18(2)16-9)21(19,20)17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8,10-13,15,17H,3-7H2,1-2H3.
What are the key properties of N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide?
N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 17022485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).