2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide

C19H22ClFN2O3S2 — CID 24575316

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C19H22ClFN2O3S2/c1-13-11-14(3-8-17(13)21)12-22-19(24)18(9-10-27-2)23-28(25,26)16-6-4-15(20)5-7-16/h3-8,11,18,23H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyMUUIQXYBCLUQGJ-UHFFFAOYSA-N
MW444.98 g/mol
LogP3.50
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide

2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide (PubChem CID 24575316) has the molecular formula C19H22ClFN2O3S2 and a molecular weight of 444.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide
PubChem CID24575316
Molecular FormulaC19H22ClFN2O3S2
Molecular Weight444.98 g/mol
Exact Mass444.07
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C19H22ClFN2O3S2/c1-13-11-14(3-8-17(13)21)12-22-19(24)18(9-10-27-2)23-28(25,26)16-6-4-15(20)5-7-16/h3-8,11,18,23H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyMUUIQXYBCLUQGJ-UHFFFAOYSA-N
XLogP3.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.98
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide with MolForge

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Related Compounds

(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 5055809
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 18474632
N-methyl-3-[[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]methyl]benzamide
CID 55587299
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]-4-methylsulfanylbutanamide
CID 43060845
N-methyl-4-[[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]methyl]-N-propan-2-ylbenzamide
CID 55618959
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanamide
CID 41093609
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
CID 2539497
ethyl 2-[4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]acetate
CID 67706855
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide
CID 24551133
N-[4-(4-chloroanilino)-4-oxobutyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55863608
4-chloro-N-[(2R)-1-[2-(3-methylbutanoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 30388461

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide (CID 24575316) is 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(F)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide?
The InChIKey is MUUIQXYBCLUQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S2/c1-13-11-14(3-8-17(13)21)12-22-19(24)18(9-10-27-2)23-28(25,26)16-6-4-15(20)5-7-16/h3-8,11,18,23H,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide has a molecular weight of 444.98 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 24575316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).