N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide

C10H19N3O3S — CID 113334733

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H19N3O3S/c1-3-10(4-2,8-14)7-13-17(15,16)9-5-11-12-6-9/h5-6,13-14H,3-4,7-8H2,1-2H3,(H,11,12)
InChIKeyXHCVTNDJINGUIQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.49
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide (PubChem CID 113334733) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
PubChem CID113334733
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H19N3O3S/c1-3-10(4-2,8-14)7-13-17(15,16)9-5-11-12-6-9/h5-6,13-14H,3-4,7-8H2,1-2H3,(H,11,12)
InChIKeyXHCVTNDJINGUIQ-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-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide
CID 104858821
N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 113347933
N,2,2-trimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 103824132
N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
CID 63859195
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844707
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844855
5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106252762
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-[3-(bromomethyl)pentan-3-yl]-1H-pyrazole-4-sulfonamide
CID 114294057
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide (CID 113334733) is N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide is CCC(CC)(CO)CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is XHCVTNDJINGUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-3-10(4-2,8-14)7-13-17(15,16)9-5-11-12-6-9/h5-6,13-14H,3-4,7-8H2,1-2H3,(H,11,12).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-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-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113334733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).