N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide

C14H18FN3O3S — CID 71810691

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C14H18FN3O3S/c1-14(21-3,12-6-4-5-7-13(12)15)10-17-22(19,20)11-8-16-18(2)9-11/h4-9,17H,10H2,1-3H3
InChIKeyYVWUUWHFAQDVGB-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 71810691) has the molecular formula C14H18FN3O3S and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide
PubChem CID71810691
Molecular FormulaC14H18FN3O3S
Molecular Weight327.38 g/mol
Exact Mass327.11
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C14H18FN3O3S/c1-14(21-3,12-6-4-5-7-13(12)15)10-17-22(19,20)11-8-16-18(2)9-11/h4-9,17H,10H2,1-3H3
InChIKeyYVWUUWHFAQDVGB-UHFFFAOYSA-N
XLogP1.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide (CID 71810691) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide is COC(C)(CNS(=O)(=O)c1cnn(C)c1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is YVWUUWHFAQDVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3S/c1-14(21-3,12-6-4-5-7-13(12)15)10-17-22(19,20)11-8-16-18(2)9-11/h4-9,17H,10H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 327.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71810691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).