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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Related Compounds

1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
CID 55030816
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 98371309
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 98371310
1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 79684858
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575386
N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104953256
N-[2-(dimethylamino)cyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 126826994
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43597155
N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 103835944
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
CID 91812382
1,3,5-trimethyl-N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]pyrazole-4-sulfonamide
CID 95331561
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927

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).