N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide

C12H14FN3O2S — CID 71852055

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(F)c(C)c2)n[nH]1
InChIInChI=1S/C12H14FN3O2S/c1-3-9-7-12(15-14-9)16-19(17,18)10-4-5-11(13)8(2)6-10/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeyCFDJYORIIVXRBN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.22
Rot. Bonds4

About N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide

N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 71852055) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide
PubChem CID71852055
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(F)c(C)c2)n[nH]1
InChIInChI=1S/C12H14FN3O2S/c1-3-9-7-12(15-14-9)16-19(17,18)10-4-5-11(13)8(2)6-10/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeyCFDJYORIIVXRBN-UHFFFAOYSA-N
XLogP2.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide (CID 71852055) is N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccc(F)c(C)c2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is CFDJYORIIVXRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-3-9-7-12(15-14-9)16-19(17,18)10-4-5-11(13)8(2)6-10/h4-7H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide?
N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 71852055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).