N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

C13H19N3O2S2 — CID 22578599

IUPACN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCCn1nc(C)c(CCNS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C13H19N3O2S2/c1-4-16-11(3)12(10(2)15-16)7-8-14-20(17,18)13-6-5-9-19-13/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyZGQXHLAMQSVVHQ-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.10
Rot. Bonds6

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 22578599) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID22578599
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCCn1nc(C)c(CCNS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C13H19N3O2S2/c1-4-16-11(3)12(10(2)15-16)7-8-14-20(17,18)13-6-5-9-19-13/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyZGQXHLAMQSVVHQ-UHFFFAOYSA-N
XLogP2.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 22578599) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is CCn1nc(C)c(CCNS(=O)(=O)c2cccs2)c1C.
What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZGQXHLAMQSVVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-4-16-11(3)12(10(2)15-16)7-8-14-20(17,18)13-6-5-9-19-13/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 313.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22578599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).