N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide

C19H18FN3O2S — CID 67646068

IUPACN-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
SMILESC=CCn1cc(-c2ccc(C)c(F)c2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C19H18FN3O2S/c1-3-11-23-13-17(15-10-9-14(2)18(20)12-15)19(21-23)22-26(24,25)16-7-5-4-6-8-16/h3-10,12-13H,1,11H2,2H3,(H,21,22)
InChIKeyFUGNLRNCLPFXQD-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.98
Rot. Bonds6

About N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide

N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide (PubChem CID 67646068) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
PubChem CID67646068
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
SMILESC=CCn1cc(-c2ccc(C)c(F)c2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C19H18FN3O2S/c1-3-11-23-13-17(15-10-9-14(2)18(20)12-15)19(21-23)22-26(24,25)16-7-5-4-6-8-16/h3-10,12-13H,1,11H2,2H3,(H,21,22)
InChIKeyFUGNLRNCLPFXQD-UHFFFAOYSA-N
XLogP3.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
4-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-amine
CID 1256527
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 17022757
4-fluoro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 17512561
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 19582053
1-(Benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
CID 935662
1-(Benzenesulfonyl)-4-(4-fluorophenyl)pyrazol-3-amine
CID 972834
1-(4-Fluorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
CID 1256523
4-(4-Fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
CID 1258072
1-(Benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine
CID 2986590

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide (CID 67646068) is N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide is C=CCn1cc(-c2ccc(C)c(F)c2)c(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is FUGNLRNCLPFXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-3-11-23-13-17(15-10-9-14(2)18(20)12-15)19(21-23)22-26(24,25)16-7-5-4-6-8-16/h3-10,12-13H,1,11H2,2H3,(H,21,22).
What are the key properties of N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide?
N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 371.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67646068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).