N-tert-butyl-1H-pyrazole-4-sulfonamide

C7H13N3O2S — CID 47267365

IUPACN-tert-butyl-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O2S/c1-7(2,3)10-13(11,12)6-4-8-9-5-6/h4-5,10H,1-3H3,(H,8,9)
InChIKeySVBZGXVFFBCJNV-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.49
Rot. Bonds2

About N-tert-butyl-1H-pyrazole-4-sulfonamide

N-tert-butyl-1H-pyrazole-4-sulfonamide (PubChem CID 47267365) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-tert-butyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1H-pyrazole-4-sulfonamide
PubChem CID47267365
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-tert-butyl-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O2S/c1-7(2,3)10-13(11,12)6-4-8-9-5-6/h4-5,10H,1-3H3,(H,8,9)
InChIKeySVBZGXVFFBCJNV-UHFFFAOYSA-N
XLogP0.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 103697702
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115310721
N-(1-bromo-3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106169959
N-[3-(bromomethyl)pentan-3-yl]-1H-pyrazole-4-sulfonamide
CID 114294057
N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
CID 63859195
N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158132
N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 66171038
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363914
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N,2,2-trimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 103824132
N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 113347933
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-tert-butyl-1H-pyrazole-4-sulfonamide (CID 47267365) is N-tert-butyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-tert-butyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-tert-butyl-1H-pyrazole-4-sulfonamide is CC(C)(C)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-tert-butyl-1H-pyrazole-4-sulfonamide?
The InChIKey is SVBZGXVFFBCJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-7(2,3)10-13(11,12)6-4-8-9-5-6/h4-5,10H,1-3H3,(H,8,9).
What are the key properties of N-tert-butyl-1H-pyrazole-4-sulfonamide?
N-tert-butyl-1H-pyrazole-4-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).