4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide

C11H9ClF3N3O2S — CID 25335240

IUPAC4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C11H9ClF3N3O2S/c1-18-5-4-10(16-18)17-21(19,20)9-3-2-7(12)6-8(9)11(13,14)15/h2-6H,1H3,(H,16,17)
InChIKeyNBFFVEZFGJTVJW-UHFFFAOYSA-N
MW339.73 g/mol
LogP2.89
Rot. Bonds3

About 4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 25335240) has the molecular formula C11H9ClF3N3O2S and a molecular weight of 339.73 g/mol. Its IUPAC name is 4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID25335240
Molecular FormulaC11H9ClF3N3O2S
Molecular Weight339.73 g/mol
Exact Mass339.01
IUPAC Name4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C11H9ClF3N3O2S/c1-18-5-4-10(16-18)17-21(19,20)9-3-2-7(12)6-8(9)11(13,14)15/h2-6H,1H3,(H,16,17)
InChIKeyNBFFVEZFGJTVJW-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 25335240) is 4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide is Cn1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1.
What is the InChIKey of 4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NBFFVEZFGJTVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O2S/c1-18-5-4-10(16-18)17-21(19,20)9-3-2-7(12)6-8(9)11(13,14)15/h2-6H,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 339.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 25335240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).