(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide

C22H16Cl2F4N2O3S — CID 99945760

IUPAC(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H16Cl2F4N2O3S/c23-14-6-8-17(24)20(11-14)34(32,33)30-19(10-13-4-2-1-3-5-13)21(31)29-15-7-9-18(25)16(12-15)22(26,27)28/h1-9,11-12,19,30H,10H2,(H,29,31)/t19-/m1/s1
InChIKeyYTZDSMIBPZXKEW-LJQANCHMSA-N
MW535.35 g/mol
LogP5.68
Rot. Bonds7

About (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide

(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide (PubChem CID 99945760) has the molecular formula C22H16Cl2F4N2O3S and a molecular weight of 535.35 g/mol. Its IUPAC name is (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
PubChem CID99945760
Molecular FormulaC22H16Cl2F4N2O3S
Molecular Weight535.35 g/mol
Exact Mass534.02
IUPAC Name(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H16Cl2F4N2O3S/c23-14-6-8-17(24)20(11-14)34(32,33)30-19(10-13-4-2-1-3-5-13)21(31)29-15-7-9-18(25)16(12-15)22(26,27)28/h1-9,11-12,19,30H,10H2,(H,29,31)/t19-/m1/s1
InChIKeyYTZDSMIBPZXKEW-LJQANCHMSA-N
XLogP5.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.35
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 28542725
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 28542728
(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860854
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541201
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541204
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871386
(2R)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540829
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
CID 43890974
N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42904742
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891401
(2S)-N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541415
2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 30142830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide (CID 99945760) is (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The InChIKey is YTZDSMIBPZXKEW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H16Cl2F4N2O3S/c23-14-6-8-17(24)20(11-14)34(32,33)30-19(10-13-4-2-1-3-5-13)21(31)29-15-7-9-18(25)16(12-15)22(26,27)28/h1-9,11-12,19,30H,10H2,(H,29,31)/t19-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide?
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide has a molecular weight of 535.35 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 99945760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).