N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide

C9H17N3O3S — CID 106352662

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O3S/c1-7(2)8(4-6-13)12-16(14,15)9-3-5-10-11-9/h3,5,7-8,12-13H,4,6H2,1-2H3,(H,10,11)
InChIKeyZKRFMDSRQKTMIZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.09
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide

N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106352662) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106352662
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O3S/c1-7(2)8(4-6-13)12-16(14,15)9-3-5-10-11-9/h3,5,7-8,12-13H,4,6H2,1-2H3,(H,10,11)
InChIKeyZKRFMDSRQKTMIZ-UHFFFAOYSA-N
XLogP0.09
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644
N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694053
N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide
CID 102691239
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694134
N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773051
N-[(3R)-1-hydroxy-4-methylpentan-3-yl]-4-methylbenzenesulfonamide
CID 97070553
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide (CID 106352662) is N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide is CC(C)C(CCO)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ZKRFMDSRQKTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-7(2)8(4-6-13)12-16(14,15)9-3-5-10-11-9/h3,5,7-8,12-13H,4,6H2,1-2H3,(H,10,11).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide?
N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106352662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).