1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide

C19H19F3N4O2S — CID 175934897

IUPAC1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide
SMILESCC(Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1ccn(C)n1)S(N)(=O)=O
InChIInChI=1S/C19H19F3N4O2S/c1-12(29(23,27)28)24-17-7-6-14(11-16(17)18-8-9-26(2)25-18)13-4-3-5-15(10-13)19(20,21)22/h3-12,24H,1-2H3,(H2,23,27,28)
InChIKeyPLIYKCNKJJLVTD-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.82
Rot. Bonds5

About 1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide

1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide (PubChem CID 175934897) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide
PubChem CID175934897
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide
SMILESCC(Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1ccn(C)n1)S(N)(=O)=O
InChIInChI=1S/C19H19F3N4O2S/c1-12(29(23,27)28)24-17-7-6-14(11-16(17)18-8-9-26(2)25-18)13-4-3-5-15(10-13)19(20,21)22/h3-12,24H,1-2H3,(H2,23,27,28)
InChIKeyPLIYKCNKJJLVTD-UHFFFAOYSA-N
XLogP3.82
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 171789512
3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 122193258
5-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]naphthalene-2-sulfonic acid
CID 86687364
N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide
CID 141138062
1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
CID 166246765
5-(4-methylsulfonylphenyl)-3-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyridin-2-amine
CID 71594226
sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate
CID 46741398
CID 131866586
CID 131866586
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
(2S)-3-methyl-2-[4-[3-(trifluoromethyl)phenyl]phenyl]butanoic acid
CID 11652705
1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole
CID 137458249
1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 171789540

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide?
The IUPAC name of 1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide (CID 175934897) is 1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide.
What is the SMILES notation for 1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide?
The canonical SMILES for 1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide is CC(Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1ccn(C)n1)S(N)(=O)=O.
What is the InChIKey of 1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide?
The InChIKey is PLIYKCNKJJLVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-12(29(23,27)28)24-17-7-6-14(11-16(17)18-8-9-26(2)25-18)13-4-3-5-15(10-13)19(20,21)22/h3-12,24H,1-2H3,(H2,23,27,28).
What are the key properties of 1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide?
1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide has a molecular weight of 424.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)phenyl]anilino]ethanesulfonamide is sourced from PubChem (CID 175934897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).