N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide

C12H15N3O2S — CID 102692933

IUPACN-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-2-11(10-6-4-3-5-7-10)15-18(16,17)12-8-9-13-14-12/h3-9,11,15H,2H2,1H3,(H,13,14)
InChIKeyBQDHPWJZYPJSGB-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.84
Rot. Bonds5

About N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide

N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692933) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692933
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-2-11(10-6-4-3-5-7-10)15-18(16,17)12-8-9-13-14-12/h3-9,11,15H,2H2,1H3,(H,13,14)
InChIKeyBQDHPWJZYPJSGB-UHFFFAOYSA-N
XLogP1.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide
CID 107863427
N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide
CID 102692460
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
CID 102692706
3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
CID 102690630
methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate
CID 102692927
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
4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 106055074
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide (CID 102692933) is N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide is CCC(NS(=O)(=O)c1ccn[nH]1)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is BQDHPWJZYPJSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-11(10-6-4-3-5-7-10)15-18(16,17)12-8-9-13-14-12/h3-9,11,15H,2H2,1H3,(H,13,14).
What are the key properties of N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide?
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).