(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide

C15H15BrN2O3S — CID 1296182

IUPAC(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H15BrN2O3S/c1-11(15(19)17-13-5-3-2-4-6-13)18-22(20,21)14-9-7-12(16)8-10-14/h2-11,18H,1H3,(H,17,19)/t11-/m1/s1
InChIKeyXIYXPFIMEQXFHA-LLVKDONJSA-N
MW383.27 g/mol
LogP2.75
Rot. Bonds5

About (2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide (PubChem CID 1296182) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
PubChem CID1296182
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H15BrN2O3S/c1-11(15(19)17-13-5-3-2-4-6-13)18-22(20,21)14-9-7-12(16)8-10-14/h2-11,18H,1H3,(H,17,19)/t11-/m1/s1
InChIKeyXIYXPFIMEQXFHA-LLVKDONJSA-N
XLogP2.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 3660205
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
CID 3652587

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide (CID 1296182) is (2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide is C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide?
The InChIKey is XIYXPFIMEQXFHA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c1-11(15(19)17-13-5-3-2-4-6-13)18-22(20,21)14-9-7-12(16)8-10-14/h2-11,18H,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide?
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide has a molecular weight of 383.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide is sourced from PubChem (CID 1296182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).