N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide

C10H19N3O3S — CID 113347933

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H19N3O3S/c1-10(2,4-3-5-14)8-13-17(15,16)9-6-11-12-7-9/h6-7,13-14H,3-5,8H2,1-2H3,(H,11,12)
InChIKeyVZRGFNFTRZIFAK-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.49
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide

N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide (PubChem CID 113347933) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide
PubChem CID113347933
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H19N3O3S/c1-10(2,4-3-5-14)8-13-17(15,16)9-6-11-12-7-9/h6-7,13-14H,3-5,8H2,1-2H3,(H,11,12)
InChIKeyVZRGFNFTRZIFAK-UHFFFAOYSA-N
XLogP0.49
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 66171038
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
CID 113334733
6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide
CID 113347931
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide
CID 104858821
N,2,2-trimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 103824132
N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
CID 63859195
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4,5-dimethylbenzenesulfonamide
CID 106139933
N-tert-butyl-1H-pyrazole-4-sulfonamide
CID 47267365
N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide
CID 106143797
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide (CID 113347933) is N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide is CC(C)(CCCO)CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VZRGFNFTRZIFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-10(2,4-3-5-14)8-13-17(15,16)9-6-11-12-7-9/h6-7,13-14H,3-5,8H2,1-2H3,(H,11,12).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide?
N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113347933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).