N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide

C9H17N3O4S — CID 113346258

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H17N3O4S/c1-7-9(5-10-11-7)17(14,15)12-8(3-4-13)6-16-2/h5,8,12-13H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyQBZOUFGDQLSVTP-UHFFFAOYSA-N
MW263.32 g/mol
LogP-0.61
Rot. Bonds7

About N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 113346258) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID113346258
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H17N3O4S/c1-7-9(5-10-11-7)17(14,15)12-8(3-4-13)6-16-2/h5,8,12-13H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyQBZOUFGDQLSVTP-UHFFFAOYSA-N
XLogP-0.61
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 104933894
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 79246508
5-tert-butyl-N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]-2-methylbenzenesulfonamide
CID 97071037
2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 106152688
1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide
CID 103887499
5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106185878
ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 115755167
3-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 106155850
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106546616
tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate
CID 81005814
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
CID 106156919

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 113346258) is N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is COCC(CCO)NS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QBZOUFGDQLSVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-7-9(5-10-11-7)17(14,15)12-8(3-4-13)6-16-2/h5,8,12-13H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 263.32 g/mol, XLogP of -0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113346258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).