4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide

C19H20FN3O3S — CID 19355250

IUPAC4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C19H20FN3O3S/c1-4-23-12(2)18(14-7-10-17(26-3)16(20)11-14)19(22-23)13-5-8-15(9-6-13)27(21,24)25/h5-11H,4H2,1-3H3,(H2,21,24,25)
InChIKeyWCDDKZKCLDXDLA-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.34
Rot. Bonds5

About 4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide

4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide (PubChem CID 19355250) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide
PubChem CID19355250
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C19H20FN3O3S/c1-4-23-12(2)18(14-7-10-17(26-3)16(20)11-14)19(22-23)13-5-8-15(9-6-13)27(21,24)25/h5-11H,4H2,1-3H3,(H2,21,24,25)
InChIKeyWCDDKZKCLDXDLA-UHFFFAOYSA-N
XLogP3.34
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide (CID 19355250) is 4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide is CCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)c(F)c2)c1C.
What is the InChIKey of 4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is WCDDKZKCLDXDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-4-23-12(2)18(14-7-10-17(26-3)16(20)11-14)19(22-23)13-5-8-15(9-6-13)27(21,24)25/h5-11H,4H2,1-3H3,(H2,21,24,25).
What are the key properties of 4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide?
4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).