2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide

C18H18ClF3N2O3S — CID 2768785

IUPAC2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18ClF3N2O3S/c1-11(2)16(24-28(26,27)15-8-6-13(19)7-9-15)17(25)23-14-5-3-4-12(10-14)18(20,21)22/h3-11,16,24H,1-2H3,(H,23,25)
InChIKeyMYFGVAJUBWZBHR-UHFFFAOYSA-N
MW434.87 g/mol
LogP4.30
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide

2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 2768785) has the molecular formula C18H18ClF3N2O3S and a molecular weight of 434.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID2768785
Molecular FormulaC18H18ClF3N2O3S
Molecular Weight434.87 g/mol
Exact Mass434.07
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18ClF3N2O3S/c1-11(2)16(24-28(26,27)15-8-6-13(19)7-9-15)17(25)23-14-5-3-4-12(10-14)18(20,21)22/h3-11,16,24H,1-2H3,(H,23,25)
InChIKeyMYFGVAJUBWZBHR-UHFFFAOYSA-N
XLogP4.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1378166
(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 28549157
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 24536404
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 44569507
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 126414588
4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46521899
(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 6539665
2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3277013
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 34064102
3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43091494
(2S)-N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide
CID 2462964

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide (CID 2768785) is 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide is CC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is MYFGVAJUBWZBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O3S/c1-11(2)16(24-28(26,27)15-8-6-13(19)7-9-15)17(25)23-14-5-3-4-12(10-14)18(20,21)22/h3-11,16,24H,1-2H3,(H,23,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide?
2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 434.87 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 2768785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).