5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide

C11H14N4O3S — CID 107229545

IUPAC5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C11H14N4O3S/c12-11-10(6-13-15-11)19(17,18)14-5-8-1-3-9(7-16)4-2-8/h1-4,6,14,16H,5,7H2,(H3,12,13,15)
InChIKeyHMURNHSUTGBOMP-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.04
Rot. Bonds5

About 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 107229545) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID107229545
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C11H14N4O3S/c12-11-10(6-13-15-11)19(17,18)14-5-8-1-3-9(7-16)4-2-8/h1-4,6,14,16H,5,7H2,(H3,12,13,15)
InChIKeyHMURNHSUTGBOMP-UHFFFAOYSA-N
XLogP-0.04
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 62537243
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61105229
5-amino-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808924
5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide
CID 107316396
5-amino-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229561
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
5-amino-2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229551
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107229581
5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61284223
5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide
CID 115454062
5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide
CID 65102925
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide (CID 107229545) is 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCc1ccc(CO)cc1.
What is the InChIKey of 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is HMURNHSUTGBOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c12-11-10(6-13-15-11)19(17,18)14-5-8-1-3-9(7-16)4-2-8/h1-4,6,14,16H,5,7H2,(H3,12,13,15).
What are the key properties of 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107229545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).