(2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide

C21H18BrFN2O3S — CID 28540838

IUPAC(2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
SMILESO=C(Nc1cccc(Br)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H18BrFN2O3S/c22-16-7-4-8-18(14-16)24-21(26)20(13-15-5-2-1-3-6-15)25-29(27,28)19-11-9-17(23)10-12-19/h1-12,14,20,25H,13H2,(H,24,26)/t20-/m0/s1
InChIKeyKYLMOLBQZQACFY-FQEVSTJZSA-N
MW477.36 g/mol
LogP4.12
Rot. Bonds7

About (2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide

(2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 28540838) has the molecular formula C21H18BrFN2O3S and a molecular weight of 477.36 g/mol. Its IUPAC name is (2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID28540838
Molecular FormulaC21H18BrFN2O3S
Molecular Weight477.36 g/mol
Exact Mass476.02
IUPAC Name(2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
SMILESO=C(Nc1cccc(Br)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H18BrFN2O3S/c22-16-7-4-8-18(14-16)24-21(26)20(13-15-5-2-1-3-6-15)25-29(27,28)19-11-9-17(23)10-12-19/h1-12,14,20,25H,13H2,(H,24,26)/t20-/m0/s1
InChIKeyKYLMOLBQZQACFY-FQEVSTJZSA-N
XLogP4.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541081
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
(2S)-N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541415
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(3-nitrophenyl)-3-phenylpropanamide
CID 28541083
2-[(4-fluorophenyl)sulfonylamino]-N-(3-nitrophenyl)-3-phenylpropanamide
CID 43871262
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
4-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 28541065
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
(2R)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540829
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 92645922
N-(3-bromophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891098

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide (CID 28540838) is (2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide is O=C(Nc1cccc(Br)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is KYLMOLBQZQACFY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18BrFN2O3S/c22-16-7-4-8-18(14-16)24-21(26)20(13-15-5-2-1-3-6-15)25-29(27,28)19-11-9-17(23)10-12-19/h1-12,14,20,25H,13H2,(H,24,26)/t20-/m0/s1.
What are the key properties of (2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
(2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 477.36 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 28540838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).