2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C16H14BrF3N2O3S — CID 24856003

IUPAC2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrF3N2O3S/c1-15(2,26(24,25)11-8-6-10(17)7-9-11)14(23)22-13-5-3-4-12(21-13)16(18,19)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyQPRLNHVYGSVLNJ-UHFFFAOYSA-N
MW451.26 g/mol
LogP4.05
Rot. Bonds4

About 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 24856003) has the molecular formula C16H14BrF3N2O3S and a molecular weight of 451.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID24856003
Molecular FormulaC16H14BrF3N2O3S
Molecular Weight451.26 g/mol
Exact Mass449.99
IUPAC Name2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrF3N2O3S/c1-15(2,26(24,25)11-8-6-10(17)7-9-11)14(23)22-13-5-3-4-12(21-13)16(18,19)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyQPRLNHVYGSVLNJ-UHFFFAOYSA-N
XLogP4.05
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~2~-[(4-bromophenyl)sulfonyl]-N~2~-methyl-N~1~-(6-methyl-2-pyridinyl)glycinamide
CID 2233591
3-[(4-bromophenyl)sulfonyl]-N-(5-methylpyridin-2-yl)propanamide
CID 4085378
3-(benzenesulfonyl)-N-(6-methylpyridin-2-yl)propanamide
CID 3163455
3-[(4-bromophenyl)sulfonyl]-N-pyridin-2-ylpropanamide
CID 4109228
3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide
CID 3456804
N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide
CID 71985294
2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24855792
2-(4-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24855837
2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24856035
3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-N-[6-(trifluoromethyl)pyridin-2-yl]butanamide
CID 24856038
2-methyl-2-propan-2-ylsulfonyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 25002267
2-(benzenesulfonyl)-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 58198420

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 24856003) is 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is QPRLNHVYGSVLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3N2O3S/c1-15(2,26(24,25)11-8-6-10(17)7-9-11)14(23)22-13-5-3-4-12(21-13)16(18,19)20/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 451.26 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 24856003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).