2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride

C18H12Cl3NO3S — CID 50893916

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride
SMILESO=C(Cl)CN(c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H12Cl3NO3S/c19-13-8-9-15(20)17(10-13)26(24,25)22(11-18(21)23)16-7-3-5-12-4-1-2-6-14(12)16/h1-10H,11H2
InChIKeyOCVRSTRHCSQKBR-UHFFFAOYSA-N
MW428.72 g/mol
LogP5.11
Rot. Bonds5

About 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride

2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride (PubChem CID 50893916) has the molecular formula C18H12Cl3NO3S and a molecular weight of 428.72 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride
PubChem CID50893916
Molecular FormulaC18H12Cl3NO3S
Molecular Weight428.72 g/mol
Exact Mass426.96
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride
SMILESO=C(Cl)CN(c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H12Cl3NO3S/c19-13-8-9-15(20)17(10-13)26(24,25)22(11-18(21)23)16-7-3-5-12-4-1-2-6-14(12)16/h1-10H,11H2
InChIKeyOCVRSTRHCSQKBR-UHFFFAOYSA-N
XLogP5.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.72
LogP ≤ 55.11
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-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892228
propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate
CID 50893883
2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892681
2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
CID 50890453
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
CID 50894987
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573
2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 50895797
2-(N-(2,5-dichlorophenyl)sulfonyl-2,5-dimethoxyanilino)acetyl chloride
CID 50894812
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50895755
2-(N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50889600
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 50889602
N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100507191

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride (CID 50893916) is 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride is O=C(Cl)CN(c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride?
The InChIKey is OCVRSTRHCSQKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3NO3S/c19-13-8-9-15(20)17(10-13)26(24,25)22(11-18(21)23)16-7-3-5-12-4-1-2-6-14(12)16/h1-10H,11H2.
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride?
2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride has a molecular weight of 428.72 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride is sourced from PubChem (CID 50893916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).