(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide

C17H17ClFNO5S2 — CID 95348488

IUPAC(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESC[C@@H](C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17ClFNO5S2/c1-12(27(24,25)16-8-4-14(19)5-9-16)17(21)20-10-11-26(22,23)15-6-2-13(18)3-7-15/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyPPRAATHFJFDYBK-LBPRGKRZSA-N
MW433.91 g/mol
LogP2.23
Rot. Bonds7

About (2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide

(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 95348488) has the molecular formula C17H17ClFNO5S2 and a molecular weight of 433.91 g/mol. Its IUPAC name is (2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide
PubChem CID95348488
Molecular FormulaC17H17ClFNO5S2
Molecular Weight433.91 g/mol
Exact Mass433.02
IUPAC Name(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESC[C@@H](C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17ClFNO5S2/c1-12(27(24,25)16-8-4-14(19)5-9-16)17(21)20-10-11-26(22,23)15-6-2-13(18)3-7-15/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyPPRAATHFJFDYBK-LBPRGKRZSA-N
XLogP2.23
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide 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-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64643284
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide
CID 94652953
N-(2,3-dichlorophenyl)-2-(4-fluorophenyl)sulfonylpropanamide
CID 55811044
N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43005498
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86958039
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
N-[2-(4-chlorophenyl)sulfonylethyl]but-2-ynamide
CID 166403313
2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
CID 134126413
(2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide
CID 119290592

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of (2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide (CID 95348488) is (2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for (2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for (2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide is C[C@@H](C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is PPRAATHFJFDYBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17ClFNO5S2/c1-12(27(24,25)16-8-4-14(19)5-9-16)17(21)20-10-11-26(22,23)15-6-2-13(18)3-7-15/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 433.91 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 95348488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).