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

C18H23ClF3NO3S — CID 53328937

IUPAC2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
SMILESCC(C)(C(=O)NCC1CCCC(C(F)(F)F)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClF3NO3S/c1-17(2,27(25,26)15-8-6-14(19)7-9-15)16(24)23-11-12-4-3-5-13(10-12)18(20,21)22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,24)
InChIKeyUZGPGWFBKLKLLA-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.38
Rot. Bonds5

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

2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide (PubChem CID 53328937) has the molecular formula C18H23ClF3NO3S and a molecular weight of 425.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
PubChem CID53328937
Molecular FormulaC18H23ClF3NO3S
Molecular Weight425.90 g/mol
Exact Mass425.10
IUPAC Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
SMILESCC(C)(C(=O)NCC1CCCC(C(F)(F)F)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClF3NO3S/c1-17(2,27(25,26)15-8-6-14(19)7-9-15)16(24)23-11-12-4-3-5-13(10-12)18(20,21)22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,24)
InChIKeyUZGPGWFBKLKLLA-UHFFFAOYSA-N
XLogP4.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide (CID 53328937) is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide is CC(C)(C(=O)NCC1CCCC(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)cyclohexyl]methyl]propanamide?
The InChIKey is UZGPGWFBKLKLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF3NO3S/c1-17(2,27(25,26)15-8-6-14(19)7-9-15)16(24)23-11-12-4-3-5-13(10-12)18(20,21)22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide?
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide has a molecular weight of 425.90 g/mol, XLogP of 4.38, 5 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)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 53328937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).