4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

C18H15ClF3N3O2S — CID 3825964

IUPAC4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(C)cc1Cl
InChIInChI=1S/C18H15ClF3N3O2S/c1-11-10-16(12(2)9-15(11)19)28(26,27)24-13-3-5-14(6-4-13)25-8-7-17(23-25)18(20,21)22/h3-10,24H,1-2H3
InChIKeyWADYBWOMNDBLKE-UHFFFAOYSA-N
MW429.85 g/mol
LogP4.96
Rot. Bonds4

About 4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 3825964) has the molecular formula C18H15ClF3N3O2S and a molecular weight of 429.85 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID3825964
Molecular FormulaC18H15ClF3N3O2S
Molecular Weight429.85 g/mol
Exact Mass429.05
IUPAC Name4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(C)cc1Cl
InChIInChI=1S/C18H15ClF3N3O2S/c1-11-10-16(12(2)9-15(11)19)28(26,27)24-13-3-5-14(6-4-13)25-8-7-17(23-25)18(20,21)22/h3-10,24H,1-2H3
InChIKeyWADYBWOMNDBLKE-UHFFFAOYSA-N
XLogP4.96
TPSA63.99 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 ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (CID 3825964) is 4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is WADYBWOMNDBLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2S/c1-11-10-16(12(2)9-15(11)19)28(26,27)24-13-3-5-14(6-4-13)25-8-7-17(23-25)18(20,21)22/h3-10,24H,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 429.85 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 3825964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).