N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide

C10H13N3O2S2 — CID 47034029

IUPACN-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C10H13N3O2S2/c1-9(8-13-6-3-5-11-13)12-17(14,15)10-4-2-7-16-10/h2-7,9,12H,8H2,1H3
InChIKeyMMCQZCDTKSMVLF-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.31
Rot. Bonds5

About N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide

N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 47034029) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID47034029
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C10H13N3O2S2/c1-9(8-13-6-3-5-11-13)12-17(14,15)10-4-2-7-16-10/h2-7,9,12H,8H2,1H3
InChIKeyMMCQZCDTKSMVLF-UHFFFAOYSA-N
XLogP1.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide (CID 47034029) is N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide is CC(Cn1cccn1)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is MMCQZCDTKSMVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-9(8-13-6-3-5-11-13)12-17(14,15)10-4-2-7-16-10/h2-7,9,12H,8H2,1H3.
What are the key properties of N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide?
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 47034029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).