5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide

C20H22FN3O2S — CID 55860657

IUPAC5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H22FN3O2S/c1-15-10-11-17(21)13-20(15)27(25,26)24(2)12-6-9-18-14-19(23-22-18)16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,22,23)
InChIKeyZUXKZFQOHGUNBF-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.78
Rot. Bonds7

About 5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide

5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide (PubChem CID 55860657) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide
PubChem CID55860657
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC Name5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H22FN3O2S/c1-15-10-11-17(21)13-20(15)27(25,26)24(2)12-6-9-18-14-19(23-22-18)16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,22,23)
InChIKeyZUXKZFQOHGUNBF-UHFFFAOYSA-N
XLogP3.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-diphenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56659731
N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56680214
MEK4 inhibitor-1
CID 155424828
N-cyclopropyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164613623
N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164628813
4-(5-(5-(cyclohexylmethyl)-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591350
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 50792315
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 53325446
3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 155424834
3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide
CID 164614344
N-cyclohexyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164614787
N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164620343

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide (CID 55860657) is 5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide?
The InChIKey is ZUXKZFQOHGUNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-15-10-11-17(21)13-20(15)27(25,26)24(2)12-6-9-18-14-19(23-22-18)16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,22,23).
What are the key properties of 5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide?
5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide has a molecular weight of 387.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2-dimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 55860657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).