2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride

C19H15BrClNO3S — CID 50893823

IUPAC2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride
SMILESCC(C(=O)Cl)N(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H15BrClNO3S/c1-13(19(21)23)22(26(24,25)18-10-7-16(20)8-11-18)17-9-6-14-4-2-3-5-15(14)12-17/h2-13H,1H3
InChIKeyAFNLKPQDERLNPJ-UHFFFAOYSA-N
MW452.76 g/mol
LogP4.95
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride

2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride (PubChem CID 50893823) has the molecular formula C19H15BrClNO3S and a molecular weight of 452.76 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride
PubChem CID50893823
Molecular FormulaC19H15BrClNO3S
Molecular Weight452.76 g/mol
Exact Mass450.96
IUPAC Name2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride
SMILESCC(C(=O)Cl)N(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H15BrClNO3S/c1-13(19(21)23)22(26(24,25)18-10-7-16(20)8-11-18)17-9-6-14-4-2-3-5-15(14)12-17/h2-13H,1H3
InChIKeyAFNLKPQDERLNPJ-UHFFFAOYSA-N
XLogP4.95
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.76
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(4-bromophenyl)sulfonylanilino)propanoyl chloride
CID 50889560
2-(N-(4-bromophenyl)sulfonyl-3-chloroanilino)propanoyl chloride
CID 50890108
2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid
CID 50894055
2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid
CID 50889552
(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
CID 72945426
2-(N-(4-bromophenyl)sulfonyl-4-methoxyanilino)propanoic acid
CID 50891444
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50891411
(2S)-2-(3-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
CID 72945615
2-(N-(4-bromophenyl)sulfonyl-2-methyl-4-nitroanilino)propanoyl chloride
CID 50895034
4-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541765
N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide
CID 72945225
2-(N-(4-acetamidophenyl)sulfonyl-4-propan-2-ylanilino)propanoyl chloride
CID 50889358

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride (CID 50893823) is 2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride is CC(C(=O)Cl)N(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride?
The InChIKey is AFNLKPQDERLNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO3S/c1-13(19(21)23)22(26(24,25)18-10-7-16(20)8-11-18)17-9-6-14-4-2-3-5-15(14)12-17/h2-13H,1H3.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride?
2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride has a molecular weight of 452.76 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride is sourced from PubChem (CID 50893823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).