2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

C33H30Cl2F5N3O6S2 — CID 159353939

IUPAC2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1F.Cc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C17H14ClF4NO3S.C16H16ClFN2O3S/c1-16(2,27(25,26)14-7-6-11(18)9-13(14)19)15(24)23-12-5-3-4-10(8-12)17(20,21)22;1-10-4-7-14(19-9-10)20-15(21)16(2,3)24(22,23)13-6-5-11(17)8-12(13)18/h3-9H,1-2H3,(H,23,24);4-9H,1-3H3,(H,19,20,21)
InChIKeyLHRGHULSLOMMFG-UHFFFAOYSA-N
MW794.65 g/mol
LogP8.06
Rot. Bonds8

About 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 159353939) has the molecular formula C33H30Cl2F5N3O6S2 and a molecular weight of 794.65 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID159353939
Molecular FormulaC33H30Cl2F5N3O6S2
Molecular Weight794.65 g/mol
Exact Mass793.09
IUPAC Name2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1F.Cc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C17H14ClF4NO3S.C16H16ClFN2O3S/c1-16(2,27(25,26)14-7-6-11(18)9-13(14)19)15(24)23-12-5-3-4-10(8-12)17(20,21)22;1-10-4-7-14(19-9-10)20-15(21)16(2,3)24(22,23)13-6-5-11(17)8-12(13)18/h3-9H,1-2H3,(H,23,24);4-9H,1-3H3,(H,19,20,21)
InChIKeyLHRGHULSLOMMFG-UHFFFAOYSA-N
XLogP8.06
TPSA139.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.65
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 44569507
2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 67043617
1-(5-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19686091
2-(4-chloro-2-fluorophenyl)sulfonyl-N'-[2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoyl]-N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-quinolin-2-ylpropanehydrazide;2-(4-chloro-2-fluorophenyl)sulfonyl-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methylpropanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-naphthalen-1-ylpropanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(3-propyl-1,2-oxazol-5-yl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 173121554
N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 58198687
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide
CID 108530574
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 71260039
2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
CID 110178309
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969164
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 159353939) is 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1F.Cc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)nc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LHRGHULSLOMMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4NO3S.C16H16ClFN2O3S/c1-16(2,27(25,26)14-7-6-11(18)9-13(14)19)15(24)23-12-5-3-4-10(8-12)17(20,21)22;1-10-4-7-14(19-9-10)20-15(21)16(2,3)24(22,23)13-6-5-11(17)8-12(13)18/h3-9H,1-2H3,(H,23,24);4-9H,1-3H3,(H,19,20,21).
What are the key properties of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 794.65 g/mol, XLogP of 8.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 159353939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).