N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide

C14H16F3N3O4S — CID 155952179

IUPACN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCC(O)COc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H16F3N3O4S/c1-20-7-6-13(19-20)25(22,23)18-8-11(21)9-24-12-4-2-10(3-5-12)14(15,16)17/h2-7,11,18,21H,8-9H2,1H3
InChIKeySOGLLUMIWZYCEM-UHFFFAOYSA-N
MW379.36 g/mol
LogP1.16
Rot. Bonds7

About N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide (PubChem CID 155952179) has the molecular formula C14H16F3N3O4S and a molecular weight of 379.36 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide
PubChem CID155952179
Molecular FormulaC14H16F3N3O4S
Molecular Weight379.36 g/mol
Exact Mass379.08
IUPAC NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCC(O)COc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H16F3N3O4S/c1-20-7-6-13(19-20)25(22,23)18-8-11(21)9-24-12-4-2-10(3-5-12)14(15,16)17/h2-7,11,18,21H,8-9H2,1H3
InChIKeySOGLLUMIWZYCEM-UHFFFAOYSA-N
XLogP1.16
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79779688
4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]benzenesulfonamide
CID 1300823
1-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 47072908
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
4-[2-hydroxy-3-[(1-methylpyrazol-3-yl)amino]propoxy]benzonitrile
CID 79778561
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide (CID 155952179) is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide is Cn1ccc(S(=O)(=O)NCC(O)COc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide?
The InChIKey is SOGLLUMIWZYCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O4S/c1-20-7-6-13(19-20)25(22,23)18-8-11(21)9-24-12-4-2-10(3-5-12)14(15,16)17/h2-7,11,18,21H,8-9H2,1H3.
What are the key properties of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide?
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide has a molecular weight of 379.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 155952179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).