N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide

C9H11N3O2S2 — CID 31912964

IUPACN-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C9H11N3O2S2/c1-2-12-7-8(6-10-12)11-16(13,14)9-4-3-5-15-9/h3-7,11H,2H2,1H3
InChIKeyBHICTRAJYPBMIJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide

N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 31912964) has the molecular formula C9H11N3O2S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID31912964
Molecular FormulaC9H11N3O2S2
Molecular Weight257.34 g/mol
Exact Mass257.03
IUPAC NameN-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C9H11N3O2S2/c1-2-12-7-8(6-10-12)11-16(13,14)9-4-3-5-15-9/h3-7,11H,2H2,1H3
InChIKeyBHICTRAJYPBMIJ-UHFFFAOYSA-N
XLogP1.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide (CID 31912964) is N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide is CCn1cc(NS(=O)(=O)c2cccs2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is BHICTRAJYPBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S2/c1-2-12-7-8(6-10-12)11-16(13,14)9-4-3-5-15-9/h3-7,11H,2H2,1H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 257.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 31912964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).