N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide

C14H19N3O2S — CID 102693365

IUPACN-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)(CCc1ccccc1)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C14H19N3O2S/c1-14(2,10-8-12-6-4-3-5-7-12)17-20(18,19)13-9-11-15-16-13/h3-7,9,11,17H,8,10H2,1-2H3,(H,15,16)
InChIKeyRFSISANOEJJJOI-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.10
Rot. Bonds6

About N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide

N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693365) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693365
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)(CCc1ccccc1)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C14H19N3O2S/c1-14(2,10-8-12-6-4-3-5-7-12)17-20(18,19)13-9-11-15-16-13/h3-7,9,11,17H,8,10H2,1-2H3,(H,15,16)
InChIKeyRFSISANOEJJJOI-UHFFFAOYSA-N
XLogP2.10
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115621438
N-(1-amino-2-methylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102690411
N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691738
4-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690972
2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide
CID 113472600
N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691103
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102691104
1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide
CID 106079273
N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691585
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
CID 102692706
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-5-sulfonamide
CID 106245543

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide (CID 102693365) is N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide is CC(C)(CCc1ccccc1)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is RFSISANOEJJJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(2,10-8-12-6-4-3-5-7-12)17-20(18,19)13-9-11-15-16-13/h3-7,9,11,17H,8,10H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).