N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide

C10H13N3O2S2 — CID 22209244

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cccs2)c(C)n1
InChIInChI=1S/C10H13N3O2S2/c1-3-13-7-9(8(2)11-13)12-17(14,15)10-5-4-6-16-10/h4-7,12H,3H2,1-2H3
InChIKeyVTAGOWRCUVSKMN-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.07
Rot. Bonds4

About N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide

N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 22209244) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID22209244
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cccs2)c(C)n1
InChIInChI=1S/C10H13N3O2S2/c1-3-13-7-9(8(2)11-13)12-17(14,15)10-5-4-6-16-10/h4-7,12H,3H2,1-2H3
InChIKeyVTAGOWRCUVSKMN-UHFFFAOYSA-N
XLogP2.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide (CID 22209244) is N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide is CCn1cc(NS(=O)(=O)c2cccs2)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is VTAGOWRCUVSKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-3-13-7-9(8(2)11-13)12-17(14,15)10-5-4-6-16-10/h4-7,12H,3H2,1-2H3.
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide?
N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22209244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).