4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide

C12H14FN3O2S — CID 22207461

IUPAC4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCn1cccn1)c1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2S/c13-11-3-5-12(6-4-11)19(17,18)15-8-2-10-16-9-1-7-14-16/h1,3-7,9,15H,2,8,10H2
InChIKeyNAPKPWPCMBSATR-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.39
Rot. Bonds6

About 4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide

4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide (PubChem CID 22207461) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
PubChem CID22207461
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCn1cccn1)c1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2S/c13-11-3-5-12(6-4-11)19(17,18)15-8-2-10-16-9-1-7-14-16/h1,3-7,9,15H,2,8,10H2
InChIKeyNAPKPWPCMBSATR-UHFFFAOYSA-N
XLogP1.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
N-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 4791928
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1-ethyl-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 6469701
N-(2,4-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 16022074
Benzenesulfonamide, 3-fluoro-4-(1H-pyrazol-1-yl)-
CID 54594288
N-(2,5-difluorophenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 6626016
[(2,5-Difluorophenyl)sulfonyl][(1-methylpyrazol-4-yl)methyl]amine
CID 17376057
4-fluoro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 17512561
N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 19582066
N-(4-fluorophenyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914776
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204121

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide (CID 22207461) is 4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide is O=S(=O)(NCCCn1cccn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The InChIKey is NAPKPWPCMBSATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c13-11-3-5-12(6-4-11)19(17,18)15-8-2-10-16-9-1-7-14-16/h1,3-7,9,15H,2,8,10H2.
What are the key properties of 4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 22207461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).