N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C16H22FN3O3S — CID 97428487

IUPACN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCO[C@@](C)(CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1F
InChIInChI=1S/C16H22FN3O3S/c1-11-15(12(2)20(4)19-11)24(21,22)18-10-16(3,23-5)13-8-6-7-9-14(13)17/h6-9,18H,10H2,1-5H3/t16-/m0/s1
InChIKeyCYHZKCZLMIJDKF-INIZCTEOSA-N
MW355.44 g/mol
LogP2.02
Rot. Bonds6

About N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 97428487) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID97428487
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCO[C@@](C)(CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1F
InChIInChI=1S/C16H22FN3O3S/c1-11-15(12(2)20(4)19-11)24(21,22)18-10-16(3,23-5)13-8-6-7-9-14(13)17/h6-9,18H,10H2,1-5H3/t16-/m0/s1
InChIKeyCYHZKCZLMIJDKF-INIZCTEOSA-N
XLogP2.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 97428487) is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide is CO[C@@](C)(CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1F.
What is the InChIKey of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is CYHZKCZLMIJDKF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c1-11-15(12(2)20(4)19-11)24(21,22)18-10-16(3,23-5)13-8-6-7-9-14(13)17/h6-9,18H,10H2,1-5H3/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 355.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 97428487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).