4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C18H15ClF3N3O2S — CID 10765040

IUPAC4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF3N3O2S/c1-2-15-16(11-3-5-12(19)6-4-11)25(24-17(15)18(20,21)22)13-7-9-14(10-8-13)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)
InChIKeyUEMFMDKLHCIEME-UHFFFAOYSA-N
MW429.85 g/mol
LogP4.42
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10765040) has the molecular formula C18H15ClF3N3O2S and a molecular weight of 429.85 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10765040
Molecular FormulaC18H15ClF3N3O2S
Molecular Weight429.85 g/mol
Exact Mass429.05
IUPAC Name4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF3N3O2S/c1-2-15-16(11-3-5-12(19)6-4-11)25(24-17(15)18(20,21)22)13-7-9-14(10-8-13)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)
InChIKeyUEMFMDKLHCIEME-UHFFFAOYSA-N
XLogP4.42
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10765040) is 4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CCc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is UEMFMDKLHCIEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2S/c1-2-15-16(11-3-5-12(19)6-4-11)25(24-17(15)18(20,21)22)13-7-9-14(10-8-13)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27).
What are the key properties of 4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 429.85 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-4-ethyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10765040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).