N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide

C15H21N3O2S — CID 102692706

IUPACN-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CC)C(NS(=O)(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-3-12(4-2)15(13-8-6-5-7-9-13)18-21(19,20)14-10-11-16-17-14/h5-12,15,18H,3-4H2,1-2H3,(H,16,17)
InChIKeyZJZUNQRVSUGSCV-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.87
Rot. Bonds7

About N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide

N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692706) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692706
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CC)C(NS(=O)(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-3-12(4-2)15(13-8-6-5-7-9-13)18-21(19,20)14-10-11-16-17-14/h5-12,15,18H,3-4H2,1-2H3,(H,16,17)
InChIKeyZJZUNQRVSUGSCV-UHFFFAOYSA-N
XLogP2.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide
CID 107863427
methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate
CID 102692927
3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
CID 102690630
N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide
CID 102692460
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691738
N-(3-ethyl-2-hydroxypentyl)-1H-pyrazole-5-sulfonamide
CID 114168833
2-ethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
CID 60971934
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide (CID 102692706) is N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide is CCC(CC)C(NS(=O)(=O)c1ccn[nH]1)c1ccccc1.
What is the InChIKey of N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ZJZUNQRVSUGSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-12(4-2)15(13-8-6-5-7-9-13)18-21(19,20)14-10-11-16-17-14/h5-12,15,18H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide?
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).