N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C10H13N3O2S2 — CID 86804390

IUPACN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCc1[nH]nc(NS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C10H13N3O2S2/c1-3-8-7(2)10(12-11-8)13-17(14,15)9-5-4-6-16-9/h4-6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyFDXSVIPGXCTLFV-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.14
Rot. Bonds4

About N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 86804390) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID86804390
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCc1[nH]nc(NS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C10H13N3O2S2/c1-3-8-7(2)10(12-11-8)13-17(14,15)9-5-4-6-16-9/h4-6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyFDXSVIPGXCTLFV-UHFFFAOYSA-N
XLogP2.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 86804390) is N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is CCc1[nH]nc(NS(=O)(=O)c2cccs2)c1C.
What is the InChIKey of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is FDXSVIPGXCTLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-3-8-7(2)10(12-11-8)13-17(14,15)9-5-4-6-16-9/h4-6H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 86804390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).