[4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate

C20H16ClNO5S — CID 1381611

IUPAC[4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate
SMILESCC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H16ClNO5S/c1-13(23)22(28(25,26)15-8-4-3-5-9-15)19-12-18(21)20(27-14(2)24)17-11-7-6-10-16(17)19/h3-12H,1-2H3
InChIKeyCWCONWVXCVKDSF-UHFFFAOYSA-N
MW417.87 g/mol
LogP4.16
Rot. Bonds4

About [4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate

[4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate (PubChem CID 1381611) has the molecular formula C20H16ClNO5S and a molecular weight of 417.87 g/mol. Its IUPAC name is [4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate.

Molecular Properties

Compound Name[4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate
PubChem CID1381611
Molecular FormulaC20H16ClNO5S
Molecular Weight417.87 g/mol
Exact Mass417.04
IUPAC Name[4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate
SMILESCC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H16ClNO5S/c1-13(23)22(28(25,26)15-8-4-3-5-9-15)19-12-18(21)20(27-14(2)24)17-11-7-6-10-16(17)19/h3-12H,1-2H3
InChIKeyCWCONWVXCVKDSF-UHFFFAOYSA-N
XLogP4.16
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] 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

Acetic acid [4-[acetyl-(4-chlorophenyl)sulfonylamino]-1-naphthalenyl] ester
CID 2835151
4-{Acetyl[(2,4-dimethylphenyl)sulfonyl]amino}-1-naphthyl acetate
CID 992521
Acetic acid 4-(acetyl-benzenesulfonyl-amino)-naphthalen-1-yl ester
CID 1098513
4-{Acetyl[(4-methylphenyl)sulfonyl]amino}-1-naphthyl acetate
CID 1183802
4-(4-chloro-N-((4-fluorophenyl)sulfonyl)benzamido)naphthalen-1-yl 4-chlorobenzoate
CID 4049775
N-[4-[(3-chloro-4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 137650164
4-{Acetyl[(4-fluoro-2-methylphenyl)sulfonyl]amino}-1-naphthyl acetate
CID 2209548
[4-[Butanoyl-(4-fluorophenyl)sulfonylamino]naphthalen-1-yl] butanoate
CID 2398585
[4-[Acetyl-(4-fluorophenyl)sulfonylamino]naphthalen-1-yl] acetate
CID 7454435
[4-[Acetyl-(4-methylphenyl)sulfonylamino]-2-chloronaphthalen-1-yl] acetate
CID 1098502
2-Chloro-4-[(phenylsulfonyl)amino]-1-naphthyl benzoate
CID 1098515
4-[Butyryl(2-naphthylsulfonyl)amino]-2-chlorophenyl butyrate
CID 1098525

Frequently Asked Questions

What is the IUPAC name of [4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate?
The IUPAC name of [4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate (CID 1381611) is [4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate.
What is the SMILES notation for [4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate?
The canonical SMILES for [4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate is CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of [4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate?
The InChIKey is CWCONWVXCVKDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5S/c1-13(23)22(28(25,26)15-8-4-3-5-9-15)19-12-18(21)20(27-14(2)24)17-11-7-6-10-16(17)19/h3-12H,1-2H3.
What are the key properties of [4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate?
[4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate has a molecular weight of 417.87 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[acetyl(benzenesulfonyl)amino]-2-chloronaphthalen-1-yl] acetate is sourced from PubChem (CID 1381611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).