propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate

C21H19Cl2NO4S — CID 50893883

IUPACpropan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate
SMILESCC(C)OC(=O)CN(c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H19Cl2NO4S/c1-14(2)28-21(25)13-24(19-9-5-7-15-6-3-4-8-17(15)19)29(26,27)20-12-16(22)10-11-18(20)23/h3-12,14H,13H2,1-2H3
InChIKeyVFVGVTPOMGOKEQ-UHFFFAOYSA-N
MW452.36 g/mol
LogP5.29
Rot. Bonds6

About propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate

propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate (PubChem CID 50893883) has the molecular formula C21H19Cl2NO4S and a molecular weight of 452.36 g/mol. Its IUPAC name is propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate
PubChem CID50893883
Molecular FormulaC21H19Cl2NO4S
Molecular Weight452.36 g/mol
Exact Mass451.04
IUPAC Namepropan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate
SMILESCC(C)OC(=O)CN(c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H19Cl2NO4S/c1-14(2)28-21(25)13-24(19-9-5-7-15-6-3-4-8-17(15)19)29(26,27)20-12-16(22)10-11-18(20)23/h3-12,14H,13H2,1-2H3
InChIKeyVFVGVTPOMGOKEQ-UHFFFAOYSA-N
XLogP5.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride
CID 50893916
propan-2-yl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50890211
propan-2-yl 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetate
CID 50895363
methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50892663
ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate
CID 100507054
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892228
2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 50895797
propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894846
propan-2-yl 2-(3-chloro-N-methylsulfonylanilino)acetate
CID 50890248
propan-2-yl 2-[N-(benzenesulfonyl)-2-fluoroanilino]acetate
CID 50890112
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50895755
propan-2-yl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50890075

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate?
The IUPAC name of propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate (CID 50893883) is propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate?
The canonical SMILES for propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate is CC(C)OC(=O)CN(c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate?
The InChIKey is VFVGVTPOMGOKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO4S/c1-14(2)28-21(25)13-24(19-9-5-7-15-6-3-4-8-17(15)19)29(26,27)20-12-16(22)10-11-18(20)23/h3-12,14H,13H2,1-2H3.
What are the key properties of propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate?
propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate has a molecular weight of 452.36 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate is sourced from PubChem (CID 50893883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).