N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide

C11H13N3O3S — CID 54903977

IUPACN-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)c1cn[nH]c1
InChIInChI=1S/C11H13N3O3S/c15-10-3-1-9(2-4-10)5-6-14-18(16,17)11-7-12-13-8-11/h1-4,7-8,14-15H,5-6H2,(H,12,13)
InChIKeyIQNFWPUVSVFENA-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.64
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide

N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54903977) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID54903977
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)c1cn[nH]c1
InChIInChI=1S/C11H13N3O3S/c15-10-3-1-9(2-4-10)5-6-14-18(16,17)11-7-12-13-8-11/h1-4,7-8,14-15H,5-6H2,(H,12,13)
InChIKeyIQNFWPUVSVFENA-UHFFFAOYSA-N
XLogP0.64
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1H-pyrazol-4-ylsulfonylamino)ethyl]benzoic acid
CID 60917023
N-(2-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47372092
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
N-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 61026875
6-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-sulfonamide
CID 61237307
N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54903976
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 49460068
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106385116
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide (CID 54903977) is N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCCc1ccc(O)cc1)c1cn[nH]c1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is IQNFWPUVSVFENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-10-3-1-9(2-4-10)5-6-14-18(16,17)11-7-12-13-8-11/h1-4,7-8,14-15H,5-6H2,(H,12,13).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54903977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).