N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine

C19H19F3N4O2S — CID 163393892

IUPACN-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C19H19F3N4O2S/c1-12(2)29(27,28)14-5-6-16(15(8-14)17-10-26(3)11-24-17)25-18-7-4-13(9-23-18)19(20,21)22/h4-12H,1-3H3,(H,23,25)
InChIKeyVUQZGUWSQSXTOI-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.43
Rot. Bonds5

About N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine

N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 163393892) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID163393892
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC NameN-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C19H19F3N4O2S/c1-12(2)29(27,28)14-5-6-16(15(8-14)17-10-26(3)11-24-17)25-18-7-4-13(9-23-18)19(20,21)22/h4-12H,1-3H3,(H,23,25)
InChIKeyVUQZGUWSQSXTOI-UHFFFAOYSA-N
XLogP4.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine (CID 163393892) is N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine is CC(C)S(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(C)cn2)c1.
What is the InChIKey of N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VUQZGUWSQSXTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-12(2)29(27,28)14-5-6-16(15(8-14)17-10-26(3)11-24-17)25-18-7-4-13(9-23-18)19(20,21)22/h4-12H,1-3H3,(H,23,25).
What are the key properties of N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 424.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 163393892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).