N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide

C11H10F3N3O2S — CID 17484669

IUPACN-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H10F3N3O2S/c1-17-6-5-10(15-17)16-20(18,19)9-4-2-3-8(7-9)11(12,13)14/h2-7H,1H3,(H,15,16)
InChIKeyANODJRLTRDTGKV-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.24
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 17484669) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID17484669
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC NameN-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H10F3N3O2S/c1-17-6-5-10(15-17)16-20(18,19)9-4-2-3-8(7-9)11(12,13)14/h2-7H,1H3,(H,15,16)
InChIKeyANODJRLTRDTGKV-UHFFFAOYSA-N
XLogP2.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 17484669) is N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide is Cn1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ANODJRLTRDTGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-17-6-5-10(15-17)16-20(18,19)9-4-2-3-8(7-9)11(12,13)14/h2-7H,1H3,(H,15,16).
What are the key properties of N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 305.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 17484669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).