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

C15H14Br2N2O3S — CID 3660205

IUPACN-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C15H14Br2N2O3S/c1-10(15(20)18-14-5-3-2-4-13(14)17)19-23(21,22)12-8-6-11(16)7-9-12/h2-10,19H,1H3,(H,18,20)
InChIKeyJQZFOGQNLIRREM-UHFFFAOYSA-N
MW462.16 g/mol
LogP3.52
Rot. Bonds5

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

N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide (PubChem CID 3660205) has the molecular formula C15H14Br2N2O3S and a molecular weight of 462.16 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
PubChem CID3660205
Molecular FormulaC15H14Br2N2O3S
Molecular Weight462.16 g/mol
Exact Mass459.91
IUPAC NameN-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C15H14Br2N2O3S/c1-10(15(20)18-14-5-3-2-4-13(14)17)19-23(21,22)12-8-6-11(16)7-9-12/h2-10,19H,1H3,(H,18,20)
InChIKeyJQZFOGQNLIRREM-UHFFFAOYSA-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

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330822
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330824
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 41330979
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
CID 3652587
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide
CID 1254732
2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 4657987

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide (CID 3660205) is N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
The InChIKey is JQZFOGQNLIRREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O3S/c1-10(15(20)18-14-5-3-2-4-13(14)17)19-23(21,22)12-8-6-11(16)7-9-12/h2-10,19H,1H3,(H,18,20).
What are the key properties of N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
N-(2-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 N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3660205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).