5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide

C11H15N3O3S2 — CID 106218355

IUPAC5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CCO)s1)c1cn[nH]c1
InChIInChI=1S/C11H15N3O3S2/c1-8(9-6-12-13-7-9)14-19(16,17)11-3-2-10(18-11)4-5-15/h2-3,6-8,14-15H,4-5H2,1H3,(H,12,13)
InChIKeyZBCAYXWYJWUKMK-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.05
Rot. Bonds6

About 5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide

5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106218355) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106218355
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CCO)s1)c1cn[nH]c1
InChIInChI=1S/C11H15N3O3S2/c1-8(9-6-12-13-7-9)14-19(16,17)11-3-2-10(18-11)4-5-15/h2-3,6-8,14-15H,4-5H2,1H3,(H,12,13)
InChIKeyZBCAYXWYJWUKMK-UHFFFAOYSA-N
XLogP1.05
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218370
5-(2-aminoethyl)-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 43520782
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218501
5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283146
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106218494
5-[2-(methylamino)ethyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283970
2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 103854257
2-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217870
2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 106218496

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 106218355) is 5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1ccc(CCO)s1)c1cn[nH]c1.
What is the InChIKey of 5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZBCAYXWYJWUKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-8(9-6-12-13-7-9)14-19(16,17)11-3-2-10(18-11)4-5-15/h2-3,6-8,14-15H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106218355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).