N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide

C19H16F4N4O3S — CID 54451755

IUPACN-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(F)c(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2C(F)(F)F)c1
InChIInChI=1S/C19H16F4N4O3S/c1-11(28)26(2)13-5-8-17(20)15(9-13)16-10-27(25-18(16)19(21,22)23)12-3-6-14(7-4-12)31(24,29)30/h3-10H,1-2H3,(H2,24,29,30)
InChIKeyWVLGYJFGFJGUTC-UHFFFAOYSA-N
MW456.42 g/mol
LogP3.33
Rot. Bonds4

About N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide

N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide (PubChem CID 54451755) has the molecular formula C19H16F4N4O3S and a molecular weight of 456.42 g/mol. Its IUPAC name is N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide
PubChem CID54451755
Molecular FormulaC19H16F4N4O3S
Molecular Weight456.42 g/mol
Exact Mass456.09
IUPAC NameN-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(F)c(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2C(F)(F)F)c1
InChIInChI=1S/C19H16F4N4O3S/c1-11(28)26(2)13-5-8-17(20)15(9-13)16-10-27(25-18(16)19(21,22)23)12-3-6-14(7-4-12)31(24,29)30/h3-10H,1-2H3,(H2,24,29,30)
InChIKeyWVLGYJFGFJGUTC-UHFFFAOYSA-N
XLogP3.33
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide (CID 54451755) is N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(F)c(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide?
The InChIKey is WVLGYJFGFJGUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O3S/c1-11(28)26(2)13-5-8-17(20)15(9-13)16-10-27(25-18(16)19(21,22)23)12-3-6-14(7-4-12)31(24,29)30/h3-10H,1-2H3,(H2,24,29,30).
What are the key properties of N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide?
N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide has a molecular weight of 456.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 54451755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).