N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide

C17H22FN3O3S — CID 67043977

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2F)n[nH]1
InChIInChI=1S/C17H22FN3O3S/c1-16(2,3)13-10-14(21-20-13)19-15(22)17(4,5)25(23,24)12-9-7-6-8-11(12)18/h6-10H,1-5H3,(H2,19,20,21,22)
InChIKeyIYSNBHYYSYNLEL-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.04
Rot. Bonds4

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 67043977) has the molecular formula C17H22FN3O3S and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide
PubChem CID67043977
Molecular FormulaC17H22FN3O3S
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2F)n[nH]1
InChIInChI=1S/C17H22FN3O3S/c1-16(2,3)13-10-14(21-20-13)19-15(22)17(4,5)25(23,24)12-9-7-6-8-11(12)18/h6-10H,1-5H3,(H2,19,20,21,22)
InChIKeyIYSNBHYYSYNLEL-UHFFFAOYSA-N
XLogP3.04
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide (CID 67043977) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2F)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is IYSNBHYYSYNLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3S/c1-16(2,3)13-10-14(21-20-13)19-15(22)17(4,5)25(23,24)12-9-7-6-8-11(12)18/h6-10H,1-5H3,(H2,19,20,21,22).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 367.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 67043977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).