N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide

C14H19N3O2S — CID 47363914

IUPACN-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)c1ccc(C(C)NS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C14H19N3O2S/c1-10(2)12-4-6-13(7-5-12)11(3)17-20(18,19)14-8-15-16-9-14/h4-11,17H,1-3H3,(H,15,16)
InChIKeyRIWBYIMTUHXEAP-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.57
Rot. Bonds5

About N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide

N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47363914) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID47363914
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)c1ccc(C(C)NS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C14H19N3O2S/c1-10(2)12-4-6-13(7-5-12)11(3)17-20(18,19)14-8-15-16-9-14/h4-11,17H,1-3H3,(H,15,16)
InChIKeyRIWBYIMTUHXEAP-UHFFFAOYSA-N
XLogP2.57
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54934224
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54867726
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazole-4-sulfonamide
CID 61276318
(2S)-3-methyl-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 61138000
methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate
CID 61275343
N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54937351
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 79267207
N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
CID 61248597
2-chloro-4-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 106217499

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide (CID 47363914) is N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide is CC(C)c1ccc(C(C)NS(=O)(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is RIWBYIMTUHXEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(2)12-4-6-13(7-5-12)11(3)17-20(18,19)14-8-15-16-9-14/h4-11,17H,1-3H3,(H,15,16).
What are the key properties of N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47363914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).