N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C16H17N3O2S2 — CID 42285175

IUPACN-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cn(C)nc1-c1cccs1
InChIInChI=1S/C16H17N3O2S2/c1-3-12-7-4-5-8-13(12)18-23(20,21)15-11-19(2)17-16(15)14-9-6-10-22-14/h4-11,18H,3H2,1-2H3
InChIKeyPPIZVKKOJYDFEQ-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.51
Rot. Bonds5

About N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42285175) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42285175
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC NameN-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cn(C)nc1-c1cccs1
InChIInChI=1S/C16H17N3O2S2/c1-3-12-7-4-5-8-13(12)18-23(20,21)15-11-19(2)17-16(15)14-9-6-10-22-14/h4-11,18H,3H2,1-2H3
InChIKeyPPIZVKKOJYDFEQ-UHFFFAOYSA-N
XLogP3.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349940
N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349956
N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349702
N-(5-chloro-2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349963
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285227
N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285209
1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349704
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285211
N-(furan-2-ylmethyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349802
N-(3-acetylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285193
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42285175) is N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is CCc1ccccc1NS(=O)(=O)c1cn(C)nc1-c1cccs1.
What is the InChIKey of N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is PPIZVKKOJYDFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-3-12-7-4-5-8-13(12)18-23(20,21)15-11-19(2)17-16(15)14-9-6-10-22-14/h4-11,18H,3H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 347.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).