2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C33H30BrF7N4O7S2 — CID 87305835

IUPAC2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)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.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C17H16F4N2O4S.C16H14BrF3N2O3S/c1-16(2,28(25,26)10-7-8-12(27-3)11(18)9-10)15(24)23-14-6-4-5-13(22-14)17(19,20)21;1-15(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/h4-9H,1-3H3,(H,22,23,24);3-9H,1-2H3,(H,21,22,23)
InChIKeyAQVCIXQFPFSFKI-UHFFFAOYSA-N
MW871.65 g/mol
LogP7.49
Rot. Bonds9

About 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 87305835) has the molecular formula C33H30BrF7N4O7S2 and a molecular weight of 871.65 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID87305835
Molecular FormulaC33H30BrF7N4O7S2
Molecular Weight871.65 g/mol
Exact Mass870.06
IUPAC Name2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)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.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C17H16F4N2O4S.C16H14BrF3N2O3S/c1-16(2,28(25,26)10-7-8-12(27-3)11(18)9-10)15(24)23-14-6-4-5-13(22-14)17(19,20)21;1-15(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/h4-9H,1-3H3,(H,22,23,24);3-9H,1-2H3,(H,21,22,23)
InChIKeyAQVCIXQFPFSFKI-UHFFFAOYSA-N
XLogP7.49
TPSA161.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.65
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198626
2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24856002
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 24856071
2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 68731806
2-(3-fluoro-4-methoxyphenyl)sulfanyl-N-[6-(2-fluoro-3-methylhexan-2-yl)-2-pyridinyl]-2-methylpropanamide;hydrate
CID 143618507
2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide
CID 60622628
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 59662655
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 75477403
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 97352904
tert-butyl N-[1-[[6-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-methoxy-2-pyridinyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 69135868
2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 86880687
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 159006128

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)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;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 87305835) is 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)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;2-(3-fluoro-4-methoxyphenyl)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;2-(3-fluoro-4-methoxyphenyl)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.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1F.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is AQVCIXQFPFSFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O4S.C16H14BrF3N2O3S/c1-16(2,28(25,26)10-7-8-12(27-3)11(18)9-10)15(24)23-14-6-4-5-13(22-14)17(19,20)21;1-15(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/h4-9H,1-3H3,(H,22,23,24);3-9H,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-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 871.65 g/mol, XLogP of 7.49, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 87305835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).