2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid

C15H14BrNO4S — CID 50889552

IUPAC2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid
SMILESCC(C(=O)O)N(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO4S/c1-11(15(18)19)17(13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h2-11H,1H3,(H,18,19)
InChIKeyQKAZRWYYRACWNB-UHFFFAOYSA-N
MW384.25 g/mol
LogP3.12
Rot. Bonds5

About 2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid

2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid (PubChem CID 50889552) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid
PubChem CID50889552
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC Name2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid
SMILESCC(C(=O)O)N(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO4S/c1-11(15(18)19)17(13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h2-11H,1H3,(H,18,19)
InChIKeyQKAZRWYYRACWNB-UHFFFAOYSA-N
XLogP3.12
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-bromophenyl)sulfonylanilino)propanoyl chloride
CID 50889560
4-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541765
2-(N-(4-bromophenyl)sulfonyl-4-methoxyanilino)propanoic acid
CID 50891444
2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid
CID 50889074
2-(N-(4-bromophenyl)sulfonyl-2,3-dichloroanilino)propanoic acid
CID 50892386
(2S)-2-(N-sulfoanilino)propanoic acid
CID 69100244
2-(N-(4-bromophenyl)sulfonyl-3-chloroanilino)propanoyl chloride
CID 50890108
(2S)-2-(N-(4-bromophenyl)anilino)propanoic acid
CID 142700956
4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide
CID 92534233
2-(2-bromo-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
CID 50890457
2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride
CID 50893823
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891983

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid (CID 50889552) is 2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid is CC(C(=O)O)N(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid?
The InChIKey is QKAZRWYYRACWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-11(15(18)19)17(13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h2-11H,1H3,(H,18,19).
What are the key properties of 2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid?
2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid has a molecular weight of 384.25 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid is sourced from PubChem (CID 50889552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).