N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide

C8H15N3O3S — CID 104773164

IUPACN-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C8H15N3O3S/c1-3-7(6-12)10-15(13,14)8-4-5-9-11(8)2/h4-5,7,10,12H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyNARJCXXHUNLQTO-SSDOTTSWSA-N
MW233.29 g/mol
LogP-0.53
Rot. Bonds5

About N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide

N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104773164) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
PubChem CID104773164
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C8H15N3O3S/c1-3-7(6-12)10-15(13,14)8-4-5-9-11(8)2/h4-5,7,10,12H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyNARJCXXHUNLQTO-SSDOTTSWSA-N
XLogP-0.53
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773039
3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
CID 104709744
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 104710482
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300
N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773051
3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709498
N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142
3-[(2-methylpyrazol-3-yl)sulfonylamino]-3-phenylpropanoic acid
CID 104709491
(2S)-5-ethoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid
CID 107039415

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide (CID 104773164) is N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide is CC[C@H](CO)NS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is NARJCXXHUNLQTO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-3-7(6-12)10-15(13,14)8-4-5-9-11(8)2/h4-5,7,10,12H,3,6H2,1-2H3/t7-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide?
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104773164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).