N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide

C11H21N3O3S — CID 97239341

IUPACN-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCCC[C@@H](O)CNS(=O)(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C11H21N3O3S/c1-4-5-10(15)6-13-18(16,17)11-7-12-14(8-11)9(2)3/h7-10,13,15H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyQJMSOGHFVFKUEW-SNVBAGLBSA-N
MW275.37 g/mol
LogP0.90
Rot. Bonds7

About N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide

N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 97239341) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID97239341
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCCC[C@@H](O)CNS(=O)(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C11H21N3O3S/c1-4-5-10(15)6-13-18(16,17)11-7-12-14(8-11)9(2)3/h7-10,13,15H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyQJMSOGHFVFKUEW-SNVBAGLBSA-N
XLogP0.90
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]methyl]pentanoic acid
CID 120660544
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
2-(oxan-4-yl)-3-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]propanoic acid
CID 167956531
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688417
N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688302
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
CID 115754475
1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 71688277
1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
CID 71911354
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 97239341) is N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide is CCC[C@@H](O)CNS(=O)(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is QJMSOGHFVFKUEW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-4-5-10(15)6-13-18(16,17)11-7-12-14(8-11)9(2)3/h7-10,13,15H,4-6H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide?
N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypentyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 97239341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).