N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide

C17H14F3N3O2S — CID 2815264

IUPACN-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2S/c1-23-16(11-15(21-23)12-5-3-2-4-6-12)22-26(24,25)14-9-7-13(8-10-14)17(18,19)20/h2-11,22H,1H3
InChIKeyXGGMZFYBEOQGBA-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.91
Rot. Bonds4

About N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 2815264) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID2815264
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC NameN-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2S/c1-23-16(11-15(21-23)12-5-3-2-4-6-12)22-26(24,25)14-9-7-13(8-10-14)17(18,19)20/h2-11,22H,1H3
InChIKeyXGGMZFYBEOQGBA-UHFFFAOYSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 2815264) is N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide is Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XGGMZFYBEOQGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-23-16(11-15(21-23)12-5-3-2-4-6-12)22-26(24,25)14-9-7-13(8-10-14)17(18,19)20/h2-11,22H,1H3.
What are the key properties of N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 381.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2815264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).