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

C13H17N3O2S — CID 102691738

IUPACN-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C13H17N3O2S/c1-11(7-8-12-5-3-2-4-6-12)16-19(17,18)13-9-10-14-15-13/h2-6,9-11,16H,7-8H2,1H3,(H,14,15)
InChIKeyLMBNIVNMXVMLBZ-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.71
Rot. Bonds6

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

N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691738) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102691738
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C13H17N3O2S/c1-11(7-8-12-5-3-2-4-6-12)16-19(17,18)13-9-10-14-15-13/h2-6,9-11,16H,7-8H2,1H3,(H,14,15)
InChIKeyLMBNIVNMXVMLBZ-UHFFFAOYSA-N
XLogP1.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690972
N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694053
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693365
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
CID 102692706
N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
CID 3722193
6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide
CID 43629384

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide (CID 102691738) is N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide is CC(CCc1ccccc1)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is LMBNIVNMXVMLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-11(7-8-12-5-3-2-4-6-12)16-19(17,18)13-9-10-14-15-13/h2-6,9-11,16H,7-8H2,1H3,(H,14,15).
What are the key properties of N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).