N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide

C17H13ClF3N3O2S — CID 10024894

IUPACN-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClF3N3O2S/c1-27(25,26)23-13-6-2-11(3-7-13)15-10-16(17(19,20)21)22-24(15)14-8-4-12(18)5-9-14/h2-10,23H,1H3
InChIKeyPCXMETUNJZLBKE-UHFFFAOYSA-N
MW415.82 g/mol
LogP4.58
Rot. Bonds4

About N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide

N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 10024894) has the molecular formula C17H13ClF3N3O2S and a molecular weight of 415.82 g/mol. Its IUPAC name is N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID10024894
Molecular FormulaC17H13ClF3N3O2S
Molecular Weight415.82 g/mol
Exact Mass415.04
IUPAC NameN-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClF3N3O2S/c1-27(25,26)23-13-6-2-11(3-7-13)15-10-16(17(19,20)21)22-24(15)14-8-4-12(18)5-9-14/h2-10,23H,1H3
InChIKeyPCXMETUNJZLBKE-UHFFFAOYSA-N
XLogP4.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide (CID 10024894) is N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is PCXMETUNJZLBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2S/c1-27(25,26)23-13-6-2-11(3-7-13)15-10-16(17(19,20)21)22-24(15)14-8-4-12(18)5-9-14/h2-10,23H,1H3.
What are the key properties of N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide?
N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 415.82 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 10024894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).