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

C15H14Br2N2O3S — CID 41330687

IUPAC(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H14Br2N2O3S/c1-10(15(20)18-13-4-2-3-12(17)9-13)19-23(21,22)14-7-5-11(16)6-8-14/h2-10,19H,1H3,(H,18,20)/t10-/m0/s1
InChIKeyMQZUFEZKTKQNRR-JTQLQIEISA-N
MW462.16 g/mol
LogP3.52
Rot. Bonds5

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

(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide (PubChem CID 41330687) has the molecular formula C15H14Br2N2O3S and a molecular weight of 462.16 g/mol. Its IUPAC name is (2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
PubChem CID41330687
Molecular FormulaC15H14Br2N2O3S
Molecular Weight462.16 g/mol
Exact Mass459.91
IUPAC Name(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H14Br2N2O3S/c1-10(15(20)18-13-4-2-3-12(17)9-13)19-23(21,22)14-7-5-11(16)6-8-14/h2-10,19H,1H3,(H,18,20)/t10-/m0/s1
InChIKeyMQZUFEZKTKQNRR-JTQLQIEISA-N
XLogP3.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.16
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
CID 3652587
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-(2,3-dimethylphenyl)propanamide
CID 41330822
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330824
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 124553698
2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 4657987
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide (CID 41330687) is (2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of (2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
The InChIKey is MQZUFEZKTKQNRR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14Br2N2O3S/c1-10(15(20)18-13-4-2-3-12(17)9-13)19-23(21,22)14-7-5-11(16)6-8-14/h2-10,19H,1H3,(H,18,20)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide has a molecular weight of 462.16 g/mol, XLogP of 3.52, 5 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-bromophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 41330687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).