N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide

C10H13N3O2S2 — CID 22207486

IUPACN-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCn1cccn1)c1cccs1
InChIInChI=1S/C10H13N3O2S2/c14-17(15,10-4-1-9-16-10)12-6-3-8-13-7-2-5-11-13/h1-2,4-5,7,9,12H,3,6,8H2
InChIKeyAERWEBYQJJJPIM-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.31
Rot. Bonds6

About N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide

N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide (PubChem CID 22207486) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
PubChem CID22207486
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCn1cccn1)c1cccs1
InChIInChI=1S/C10H13N3O2S2/c14-17(15,10-4-1-9-16-10)12-6-3-8-13-7-2-5-11-13/h1-2,4-5,7,9,12H,3,6,8H2
InChIKeyAERWEBYQJJJPIM-UHFFFAOYSA-N
XLogP1.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 71806694
N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)thiophene-2-sulfonamide
CID 71808060
N-Methyl-N-[(1-methyl-1H-pyrazol-5-YL)methyl]-2-thiophenesulfonamide
CID 19580405
N-(2-cyclopentylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53605420
1-methyl-N-propyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 72717936
1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole
CID 164632107
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide
CID 4775335
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 121588705
N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 125139499
N-[(1S)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 125139500
5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 138013467
[(1-Ethylpyrazol-5-yl)methyl]methyl(2-thienylsulfonyl)amine
CID 4775478

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide (CID 22207486) is N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide is O=S(=O)(NCCCn1cccn1)c1cccs1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is AERWEBYQJJJPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c14-17(15,10-4-1-9-16-10)12-6-3-8-13-7-2-5-11-13/h1-2,4-5,7,9,12H,3,6,8H2.
What are the key properties of N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 22207486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).