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

C17H13F4N3O2S — CID 10524951

IUPACN-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13F4N3O2S/c1-27(25,26)23-13-6-8-14(9-7-13)24-15(10-16(22-24)17(19,20)21)11-2-4-12(18)5-3-11/h2-10,23H,1H3
InChIKeyZDIDRUYEHQWJIA-UHFFFAOYSA-N
MW399.37 g/mol
LogP4.07
Rot. Bonds4

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

N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide (PubChem CID 10524951) has the molecular formula C17H13F4N3O2S and a molecular weight of 399.37 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
PubChem CID10524951
Molecular FormulaC17H13F4N3O2S
Molecular Weight399.37 g/mol
Exact Mass399.07
IUPAC NameN-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13F4N3O2S/c1-27(25,26)23-13-6-8-14(9-7-13)24-15(10-16(22-24)17(19,20)21)11-2-4-12(18)5-3-11/h2-10,23H,1H3
InChIKeyZDIDRUYEHQWJIA-UHFFFAOYSA-N
XLogP4.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide (CID 10524951) is N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
The InChIKey is ZDIDRUYEHQWJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O2S/c1-27(25,26)23-13-6-8-14(9-7-13)24-15(10-16(22-24)17(19,20)21)11-2-4-12(18)5-3-11/h2-10,23H,1H3.
What are the key properties of N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide has a molecular weight of 399.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 10524951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).