2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

C17H15ClF3NO3S — CID 44569507

IUPAC2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-8-6-12(18)7-9-14)15(23)22-13-5-3-4-11(10-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyHHVWXARVLQJQML-UHFFFAOYSA-N
MW405.83 g/mol
LogP4.55
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 44569507) has the molecular formula C17H15ClF3NO3S and a molecular weight of 405.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID44569507
Molecular FormulaC17H15ClF3NO3S
Molecular Weight405.83 g/mol
Exact Mass405.04
IUPAC Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-8-6-12(18)7-9-14)15(23)22-13-5-3-4-11(10-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyHHVWXARVLQJQML-UHFFFAOYSA-N
XLogP4.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 58198687
2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 982295
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198626
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
2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 2768785
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
1-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 4123379
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
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3512423

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 44569507) is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HHVWXARVLQJQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-8-6-12(18)7-9-14)15(23)22-13-5-3-4-11(10-13)17(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 405.83 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 44569507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).