N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide

C12H15N3O3S — CID 54903976

IUPACN-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C12H15N3O3S/c1-9-12(8-13-15-9)19(17,18)14-7-6-10-2-4-11(16)5-3-10/h2-5,8,14,16H,6-7H2,1H3,(H,13,15)
InChIKeyASNRMFMAMBYUKM-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.94
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54903976) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54903976
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C12H15N3O3S/c1-9-12(8-13-15-9)19(17,18)14-7-6-10-2-4-11(16)5-3-10/h2-5,8,14,16H,6-7H2,1H3,(H,13,15)
InChIKeyASNRMFMAMBYUKM-UHFFFAOYSA-N
XLogP0.94
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54903977
5-amino-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808924
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 81241265
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 61248904
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847923
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 113258245
methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate
CID 61274855
N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 54903976) is N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ASNRMFMAMBYUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-12(8-13-15-9)19(17,18)14-7-6-10-2-4-11(16)5-3-10/h2-5,8,14,16H,6-7H2,1H3,(H,13,15).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.94, 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]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54903976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).