N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C16H25N3O2S — CID 22204440

IUPACN-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25N3O2S/c1-9-16(10(2)19(3)17-9)22(20,21)18-15-13-5-11-4-12(7-13)8-14(15)6-11/h11-15,18H,4-8H2,1-3H3
InChIKeyOPDOUOUFNSJACP-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.14
Rot. Bonds3

About N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 22204440) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID22204440
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25N3O2S/c1-9-16(10(2)19(3)17-9)22(20,21)18-15-13-5-11-4-12(7-13)8-14(15)6-11/h11-15,18H,4-8H2,1-3H3
InChIKeyOPDOUOUFNSJACP-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 22204440) is N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is OPDOUOUFNSJACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-9-16(10(2)19(3)17-9)22(20,21)18-15-13-5-11-4-12(7-13)8-14(15)6-11/h11-15,18H,4-8H2,1-3H3.
What are the key properties of N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 323.46 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22204440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).