N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide

C12H17N3O2S2 — CID 122265215

IUPACN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C12H17N3O2S2/c1-2-9-19(16,17)14-10-11(12-5-3-8-18-12)15-7-4-6-13-15/h3-8,11,14H,2,9-10H2,1H3
InChIKeyPCJBNBUKUHQHPQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.86
Rot. Bonds7

About N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide (PubChem CID 122265215) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
PubChem CID122265215
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C12H17N3O2S2/c1-2-9-19(16,17)14-10-11(12-5-3-8-18-12)15-7-4-6-13-15/h3-8,11,14H,2,9-10H2,1H3
InChIKeyPCJBNBUKUHQHPQ-UHFFFAOYSA-N
XLogP1.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265333
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 122265220
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclopropanesulfonamide
CID 122265214
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265246
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 122265298
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 122265336
5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265269
4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265187
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 119102022

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide?
The IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide (CID 122265215) is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(c1cccs1)n1cccn1.
What is the InChIKey of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide?
The InChIKey is PCJBNBUKUHQHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-2-9-19(16,17)14-10-11(12-5-3-8-18-12)15-7-4-6-13-15/h3-8,11,14H,2,9-10H2,1H3.
What are the key properties of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide?
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 122265215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).