N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide

C9H11N3O2S2 — CID 22209098

IUPACN-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C9H11N3O2S2/c1-7-8(6-12(2)10-7)11-16(13,14)9-4-3-5-15-9/h3-6,11H,1-2H3
InChIKeySJAJDMVVUKCOTC-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.59
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide

N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 22209098) has the molecular formula C9H11N3O2S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID22209098
Molecular FormulaC9H11N3O2S2
Molecular Weight257.34 g/mol
Exact Mass257.03
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C9H11N3O2S2/c1-7-8(6-12(2)10-7)11-16(13,14)9-4-3-5-15-9/h3-6,11H,1-2H3
InChIKeySJAJDMVVUKCOTC-UHFFFAOYSA-N
XLogP1.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide (CID 22209098) is N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is SJAJDMVVUKCOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S2/c1-7-8(6-12(2)10-7)11-16(13,14)9-4-3-5-15-9/h3-6,11H,1-2H3.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide?
N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 257.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22209098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).