N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide

C13H17N3O2S — CID 102691460

IUPACN-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)10-4-6-11(7-5-10)16-19(17,18)12-8-9-14-15-12/h4-9,16H,1-3H3,(H,14,15)
InChIKeySUAPBYGCJLYNFG-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.51
Rot. Bonds3

About N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide

N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691460) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691460
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)10-4-6-11(7-5-10)16-19(17,18)12-8-9-14-15-12/h4-9,16H,1-3H3,(H,14,15)
InChIKeySUAPBYGCJLYNFG-UHFFFAOYSA-N
XLogP2.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692588
2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
CID 102691035
N-(6-methylsulfonyl-3-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102692515
N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692703
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
3-[4-(1H-pyrazol-5-ylsulfonylamino)phenyl]butanoic acid
CID 102690958
2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
CID 102691039
4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 102694175
N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
N-(3-chlorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691568
N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102693893

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide (CID 102691460) is N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide is CC(C)(C)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is SUAPBYGCJLYNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-13(2,3)10-4-6-11(7-5-10)16-19(17,18)12-8-9-14-15-12/h4-9,16H,1-3H3,(H,14,15).
What are the key properties of N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide?
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).