4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide

C11H10F3N3O2S — CID 75393084

IUPAC4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c1-7-2-3-9(4-10(7)11(12,13)14)20(18,19)17-8-5-15-16-6-8/h2-6,17H,1H3,(H,15,16)
InChIKeySLDRYKGCSBZTKE-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.54
Rot. Bonds3

About 4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide

4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 75393084) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID75393084
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c1-7-2-3-9(4-10(7)11(12,13)14)20(18,19)17-8-5-15-16-6-8/h2-6,17H,1H3,(H,15,16)
InChIKeySLDRYKGCSBZTKE-UHFFFAOYSA-N
XLogP2.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 23274101
CID 23274101
CID 43532703
CID 43532703
CID 43532756
CID 43532756
CID 154810466
CID 154810466
CID 6463098
CID 6463098
CID 129736735
CID 129736735
CID 47092052
CID 47092052
CID 126833471
CID 126833471
CID 68796260
CID 68796260
CID 142636924
CID 142636924
CID 155009376
CID 155009376
CID 166048069
CID 166048069

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 75393084) is 4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SLDRYKGCSBZTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-7-2-3-9(4-10(7)11(12,13)14)20(18,19)17-8-5-15-16-6-8/h2-6,17H,1H3,(H,15,16).
What are the key properties of 4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 305.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 75393084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).