N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C15H18F3N3O3S — CID 97355164

IUPACN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N3O3S/c1-9-14(10(2)21(3)20-9)25(23,24)19-8-13(22)11-4-6-12(7-5-11)15(16,17)18/h4-7,13,19,22H,8H2,1-3H3/t13-/m1/s1
InChIKeyYJSBUDWKVCNKIJ-CYBMUJFWSA-N
MW377.39 g/mol
LogP2.07
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 97355164) has the molecular formula C15H18F3N3O3S and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID97355164
Molecular FormulaC15H18F3N3O3S
Molecular Weight377.39 g/mol
Exact Mass377.10
IUPAC NameN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N3O3S/c1-9-14(10(2)21(3)20-9)25(23,24)19-8-13(22)11-4-6-12(7-5-11)15(16,17)18/h4-7,13,19,22H,8H2,1-3H3/t13-/m1/s1
InChIKeyYJSBUDWKVCNKIJ-CYBMUJFWSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 97355164) is N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is YJSBUDWKVCNKIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18F3N3O3S/c1-9-14(10(2)21(3)20-9)25(23,24)19-8-13(22)11-4-6-12(7-5-11)15(16,17)18/h4-7,13,19,22H,8H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 377.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 97355164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).