4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C17H14F3N3O3S — CID 54770966

IUPAC4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILES[11CH3]Oc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H14F3N3O3S/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)/i1-1
InChIKeyNAWWYLUQZOLWBT-BJUDXGSMSA-N
MW396.38 g/mol
LogP3.21
Rot. Bonds4

About 4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 54770966) has the molecular formula C17H14F3N3O3S and a molecular weight of 396.38 g/mol. Its IUPAC name is 4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID54770966
Molecular FormulaC17H14F3N3O3S
Molecular Weight396.38 g/mol
Exact Mass396.08
IUPAC Name4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILES[11CH3]Oc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H14F3N3O3S/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)/i1-1
InChIKeyNAWWYLUQZOLWBT-BJUDXGSMSA-N
XLogP3.21
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Deracoxib
CID 3058754
3-(Difluoromethyl)-1-(4-methoxyphenyl)-5-(4-(methylsulfinyl)phenyl)pyrazole
CID 132932
Unii-ywx923E9LD
CID 9802596
4-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539629
1-(4-Methoxyphenyl)-3-(trifluoromethyl)-5-(4-sulfamoylphenyl)-1H-pyrazole
CID 10786971
4-[5-(4-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9865547
3-(4-ethoxyphenyl)-1-(4-methanesulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole (15d)
CID 118855478
4-[6-fluoro-7-methoxy-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide
CID 9825432
6-fluoro-7-methoxy-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole
CID 9890350
4-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1-yl]-benzenesulfonamide
CID 9929697
4-[5-(4-Chloro-phenyl)-3-(4-methoxy-phenyl)-pyrazol-1-yl]-benzenesulfonamide
CID 9954883
4-[5-(1,3-Benzodioxol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10112273

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 54770966) is 4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is [11CH3]Oc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is NAWWYLUQZOLWBT-BJUDXGSMSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)/i1-1.
What are the key properties of 4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 396.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 54770966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).