N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

C18H26FN3O3S — CID 97258069

IUPACN-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O3S/c1-12(2)10-22(11-17(23)15-6-8-16(19)9-7-15)26(24,25)18-13(3)20-21(5)14(18)4/h6-9,12,17,23H,10-11H2,1-5H3/t17-/m1/s1
InChIKeyGMENMSJSLZGFEN-QGZVFWFLSA-N
MW383.49 g/mol
LogP2.56
Rot. Bonds7

About N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 97258069) has the molecular formula C18H26FN3O3S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID97258069
Molecular FormulaC18H26FN3O3S
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O3S/c1-12(2)10-22(11-17(23)15-6-8-16(19)9-7-15)26(24,25)18-13(3)20-21(5)14(18)4/h6-9,12,17,23H,10-11H2,1-5H3/t17-/m1/s1
InChIKeyGMENMSJSLZGFEN-QGZVFWFLSA-N
XLogP2.56
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Chlorophenyl)(1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-yl)methanol
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[1-(2,6-Dimethylheptan-4-yl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 11326428
1-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanol
CID 16122504
N-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 44117144
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol
CID 56781744
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
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2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methylsulfonylphenyl)ethanol
CID 72140138
1-methyl-3,5-dimethyl-4-[(R)-2-phenyl-4-morpholinylsulfonyl]pyrazole
CID 97355045
[4-[(2-butyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)sulfonyl]phenyl]methanol
CID 102597124
1,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 71806237
(1-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (CID 97258069) is N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is GMENMSJSLZGFEN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26FN3O3S/c1-12(2)10-22(11-17(23)15-6-8-16(19)9-7-15)26(24,25)18-13(3)20-21(5)14(18)4/h6-9,12,17,23H,10-11H2,1-5H3/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 383.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 97258069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).