2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride

C18H13ClFNO3S — CID 50893858

IUPAC2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride
SMILESO=C(Cl)CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H13ClFNO3S/c19-18(22)12-21(25(23,24)17-9-6-15(20)7-10-17)16-8-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2
InChIKeyAHSNZYCVTBCUSX-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.94
Rot. Bonds5

About 2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride

2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride (PubChem CID 50893858) has the molecular formula C18H13ClFNO3S and a molecular weight of 377.82 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride
PubChem CID50893858
Molecular FormulaC18H13ClFNO3S
Molecular Weight377.82 g/mol
Exact Mass377.03
IUPAC Name2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride
SMILESO=C(Cl)CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H13ClFNO3S/c19-18(22)12-21(25(23,24)17-9-6-15(20)7-10-17)16-8-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2
InChIKeyAHSNZYCVTBCUSX-UHFFFAOYSA-N
XLogP3.94
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.94
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-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride
CID 50893250
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-naphthalen-2-ylacetamide
CID 1103810
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-naphthalen-2-ylacetamide
CID 126387449
2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride
CID 50895753
2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride
CID 50890911
2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride
CID 50891718
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30259505
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 126139039
N-(3-chlorophenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126387654
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1337068
N-(2-chlorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 3958510

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride (CID 50893858) is 2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride is O=C(Cl)CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride?
The InChIKey is AHSNZYCVTBCUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3S/c19-18(22)12-21(25(23,24)17-9-6-15(20)7-10-17)16-8-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2.
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride?
2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride has a molecular weight of 377.82 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride is sourced from PubChem (CID 50893858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).