(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide

C15H12BrCl3N2O3S — CID 41330979

IUPAC(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl3N2O3S/c1-8(21-25(23,24)10-4-2-9(16)3-5-10)15(22)20-14-7-12(18)11(17)6-13(14)19/h2-8,21H,1H3,(H,20,22)/t8-/m0/s1
InChIKeyVAQAZTZOFXZBTH-QMMMGPOBSA-N
MW486.60 g/mol
LogP4.71
Rot. Bonds5

About (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 41330979) has the molecular formula C15H12BrCl3N2O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID41330979
Molecular FormulaC15H12BrCl3N2O3S
Molecular Weight486.60 g/mol
Exact Mass483.88
IUPAC Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl3N2O3S/c1-8(21-25(23,24)10-4-2-9(16)3-5-10)15(22)20-14-7-12(18)11(17)6-13(14)19/h2-8,21H,1H3,(H,20,22)/t8-/m0/s1
InChIKeyVAQAZTZOFXZBTH-QMMMGPOBSA-N
XLogP4.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 124551745
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 41168290
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 3660205
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 1254747
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 41329496
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330822

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide (CID 41330979) is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide is C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is VAQAZTZOFXZBTH-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H12BrCl3N2O3S/c1-8(21-25(23,24)10-4-2-9(16)3-5-10)15(22)20-14-7-12(18)11(17)6-13(14)19/h2-8,21H,1H3,(H,20,22)/t8-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide?
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 486.60 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 41330979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).