(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

C17H18ClFN2O3S — CID 30403950

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-11(13-3-7-15(19)8-4-13)20-17(22)12(2)21-25(23,24)16-9-5-14(18)6-10-16/h3-12,21H,1-2H3,(H,20,22)/t11-,12+/m1/s1
InChIKeyHUEXAIHTFRJMER-NEPJUHHUSA-N
MW384.86 g/mol
LogP3.02
Rot. Bonds6

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 30403950) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID30403950
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-11(13-3-7-15(19)8-4-13)20-17(22)12(2)21-25(23,24)16-9-5-14(18)6-10-16/h3-12,21H,1-2H3,(H,20,22)/t11-,12+/m1/s1
InChIKeyHUEXAIHTFRJMER-NEPJUHHUSA-N
XLogP3.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30404026
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43906630
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 4539824
(2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24545647
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-difluorophenyl)propanamide
CID 28549159
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 1263361
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30403963
(2S)-N-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7366747
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (CID 30403950) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is HUEXAIHTFRJMER-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-11(13-3-7-15(19)8-4-13)20-17(22)12(2)21-25(23,24)16-9-5-14(18)6-10-16/h3-12,21H,1-2H3,(H,20,22)/t11-,12+/m1/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 384.86 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 30403950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).