[(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium

C17H18ClF2N2OS+ — CID 9335413

IUPAC[(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF2N2OS/c1-11(12-2-4-13(18)5-3-12)21-10-16(23)22-14-6-8-15(9-7-14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/p+1/t11-/m0/s1
InChIKeyAAPOPLIKPRVMFA-NSHDSACASA-O
MW371.86 g/mol
LogP3.92
Rot. Bonds7

About [(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium

[(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium (PubChem CID 9335413) has the molecular formula C17H18ClF2N2OS+ and a molecular weight of 371.86 g/mol. Its IUPAC name is [(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium
PubChem CID9335413
Molecular FormulaC17H18ClF2N2OS+
Molecular Weight371.86 g/mol
Exact Mass371.08
IUPAC Name[(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF2N2OS/c1-11(12-2-4-13(18)5-3-12)21-10-16(23)22-14-6-8-15(9-7-14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/p+1/t11-/m0/s1
InChIKeyAAPOPLIKPRVMFA-NSHDSACASA-O
XLogP3.92
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9335414
(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide
CID 7944876
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9335067
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335572
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium
CID 9336359
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium
CID 8637227
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394040
[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394045
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867019
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9336001

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium (CID 9335413) is [(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium?
The InChIKey is AAPOPLIKPRVMFA-NSHDSACASA-O. The full InChI is InChI=1S/C17H17ClF2N2OS/c1-11(12-2-4-13(18)5-3-12)21-10-16(23)22-14-6-8-15(9-7-14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/p+1/t11-/m0/s1.
What are the key properties of [(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium?
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium has a molecular weight of 371.86 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 9335413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).