2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C10H8F3N3O2S — CID 112691498

IUPAC2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H8F3N3O2S/c1-5-4-14-15-10(5)16-19(17,18)9-7(12)2-6(11)3-8(9)13/h2-4H,1H3,(H2,14,15,16)
InChIKeyBKDNUEQRDRWWOK-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.94
Rot. Bonds3

About 2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 112691498) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID112691498
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H8F3N3O2S/c1-5-4-14-15-10(5)16-19(17,18)9-7(12)2-6(11)3-8(9)13/h2-4H,1H3,(H2,14,15,16)
InChIKeyBKDNUEQRDRWWOK-UHFFFAOYSA-N
XLogP1.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 112691498) is 2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is Cc1cn[nH]c1NS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is BKDNUEQRDRWWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-5-4-14-15-10(5)16-19(17,18)9-7(12)2-6(11)3-8(9)13/h2-4H,1H3,(H2,14,15,16).
What are the key properties of 2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 291.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 112691498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).