N,N,3,4,5-pentamethylpyrazole-1-sulfonamide

C8H15N3O2S — CID 2986231

IUPACN,N,3,4,5-pentamethylpyrazole-1-sulfonamide
SMILESCc1nn(S(=O)(=O)N(C)C)c(C)c1C
InChIInChI=1S/C8H15N3O2S/c1-6-7(2)9-11(8(6)3)14(12,13)10(4)5/h1-5H3
InChIKeyJLLCSXHDUWLJKM-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.46
Rot. Bonds2

About N,N,3,4,5-pentamethylpyrazole-1-sulfonamide

N,N,3,4,5-pentamethylpyrazole-1-sulfonamide (PubChem CID 2986231) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N,N,3,4,5-pentamethylpyrazole-1-sulfonamide.

Molecular Properties

Compound NameN,N,3,4,5-pentamethylpyrazole-1-sulfonamide
PubChem CID2986231
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN,N,3,4,5-pentamethylpyrazole-1-sulfonamide
SMILESCc1nn(S(=O)(=O)N(C)C)c(C)c1C
InChIInChI=1S/C8H15N3O2S/c1-6-7(2)9-11(8(6)3)14(12,13)10(4)5/h1-5H3
InChIKeyJLLCSXHDUWLJKM-UHFFFAOYSA-N
XLogP0.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,3,4,5-pentamethylpyrazole-1-sulfonamide?
The IUPAC name of N,N,3,4,5-pentamethylpyrazole-1-sulfonamide (CID 2986231) is N,N,3,4,5-pentamethylpyrazole-1-sulfonamide.
What is the SMILES notation for N,N,3,4,5-pentamethylpyrazole-1-sulfonamide?
The canonical SMILES for N,N,3,4,5-pentamethylpyrazole-1-sulfonamide is Cc1nn(S(=O)(=O)N(C)C)c(C)c1C.
What is the InChIKey of N,N,3,4,5-pentamethylpyrazole-1-sulfonamide?
The InChIKey is JLLCSXHDUWLJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-6-7(2)9-11(8(6)3)14(12,13)10(4)5/h1-5H3.
What are the key properties of N,N,3,4,5-pentamethylpyrazole-1-sulfonamide?
N,N,3,4,5-pentamethylpyrazole-1-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,4,5-pentamethylpyrazole-1-sulfonamide is sourced from PubChem (CID 2986231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).