N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide

C8H15N3O3S — CID 102693399

IUPACN-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H15N3O3S/c1-2-7(4-6-12)11-15(13,14)8-3-5-9-10-8/h3,5,7,11-12H,2,4,6H2,1H3,(H,9,10)
InChIKeyOARVHMOLKMSCAA-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.15
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide

N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693399) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693399
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC NameN-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H15N3O3S/c1-2-7(4-6-12)11-15(13,14)8-3-5-9-10-8/h3,5,7,11-12H,2,4,6H2,1H3,(H,9,10)
InChIKeyOARVHMOLKMSCAA-UHFFFAOYSA-N
XLogP-0.15
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
CID 102693859
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773039
N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
CID 102692706
N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide
CID 102694126
4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 104600082
N-(3-ethyl-2-hydroxypentyl)-1H-pyrazole-5-sulfonamide
CID 114168833

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide (CID 102693399) is N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide is CCC(CCO)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is OARVHMOLKMSCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-2-7(4-6-12)11-15(13,14)8-3-5-9-10-8/h3,5,7,11-12H,2,4,6H2,1H3,(H,9,10).
What are the key properties of N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide?
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).