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

C18H16F3N3O3S — CID 10070193

IUPACN-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H16F3N3O3S/c1-27-15-9-7-14(8-10-15)24-16(11-17(22-24)18(19,20)21)12-3-5-13(6-4-12)23-28(2,25)26/h3-11,23H,1-2H3
InChIKeyKSEMYSKMEIGWTM-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.94
Rot. Bonds5

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

N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 10070193) has the molecular formula C18H16F3N3O3S and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID10070193
Molecular FormulaC18H16F3N3O3S
Molecular Weight411.41 g/mol
Exact Mass411.09
IUPAC NameN-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H16F3N3O3S/c1-27-15-9-7-14(8-10-15)24-16(11-17(22-24)18(19,20)21)12-3-5-13(6-4-12)23-28(2,25)26/h3-11,23H,1-2H3
InChIKeyKSEMYSKMEIGWTM-UHFFFAOYSA-N
XLogP3.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide (CID 10070193) is N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is KSEMYSKMEIGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3S/c1-27-15-9-7-14(8-10-15)24-16(11-17(22-24)18(19,20)21)12-3-5-13(6-4-12)23-28(2,25)26/h3-11,23H,1-2H3.
What are the key properties of N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide?
N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 411.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 10070193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).