N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide

C7H13N3O4S — CID 66171038

IUPACN-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(O)(CO)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O4S/c1-7(12,5-11)4-10-15(13,14)6-2-8-9-3-6/h2-3,10-12H,4-5H2,1H3,(H,8,9)
InChIKeySZRVIANLCCVDRF-UHFFFAOYSA-N
MW235.26 g/mol
LogP-1.57
Rot. Bonds5

About N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide

N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 66171038) has the molecular formula C7H13N3O4S and a molecular weight of 235.26 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
PubChem CID66171038
Molecular FormulaC7H13N3O4S
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(O)(CO)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O4S/c1-7(12,5-11)4-10-15(13,14)6-2-8-9-3-6/h2-3,10-12H,4-5H2,1H3,(H,8,9)
InChIKeySZRVIANLCCVDRF-UHFFFAOYSA-N
XLogP-1.57
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
CID 113334733
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-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 66186719
N-tert-butyl-1H-pyrazole-4-sulfonamide
CID 47267365
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158132
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide (CID 66171038) is N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide is CC(O)(CO)CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is SZRVIANLCCVDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S/c1-7(12,5-11)4-10-15(13,14)6-2-8-9-3-6/h2-3,10-12H,4-5H2,1H3,(H,8,9).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide?
N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 235.26 g/mol, XLogP of -1.57, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 66171038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).