N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C17H19N3O3S2 — CID 42351821

IUPACN-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H19N3O3S2/c1-2-19(10-11-21)25(22,23)16-13-20(14-7-4-3-5-8-14)18-17(16)15-9-6-12-24-15/h3-9,12-13,21H,2,10-11H2,1H3
InChIKeyCYLMBSZWIOEGAZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.60
Rot. Bonds7

About N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42351821) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42351821
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H19N3O3S2/c1-2-19(10-11-21)25(22,23)16-13-20(14-7-4-3-5-8-14)18-17(16)15-9-6-12-24-15/h3-9,12-13,21H,2,10-11H2,1H3
InChIKeyCYLMBSZWIOEGAZ-UHFFFAOYSA-N
XLogP2.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351837
N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350211
1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351426
N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285475
4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 42351856
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2308237
1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 42352164
N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283139
3-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111436843
N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283213
8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 42351890

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42351821) is N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide is CCN(CCO)S(=O)(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is CYLMBSZWIOEGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-2-19(10-11-21)25(22,23)16-13-20(14-7-4-3-5-8-14)18-17(16)15-9-6-12-24-15/h3-9,12-13,21H,2,10-11H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42351821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).