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

C20H17NO5S — CID 1098513

IUPAC[4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate
SMILESCC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H17NO5S/c1-14(22)21(27(24,25)16-8-4-3-5-9-16)19-12-13-20(26-15(2)23)18-11-7-6-10-17(18)19/h3-13H,1-2H3
InChIKeyZCHQDLYDNCVWGV-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.51
Rot. Bonds4

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

[4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate (PubChem CID 1098513) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is [4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate.

Molecular Properties

Compound Name[4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate
PubChem CID1098513
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name[4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate
SMILESCC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H17NO5S/c1-14(22)21(27(24,25)16-8-4-3-5-9-16)19-12-13-20(26-15(2)23)18-11-7-6-10-17(18)19/h3-13H,1-2H3
InChIKeyZCHQDLYDNCVWGV-UHFFFAOYSA-N
XLogP3.51
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide
CID 134693749
N-(4-{[4-(2-naphthyloxy)anilino]sulfonyl}phenyl)acetamide
CID 1217803
Acetic acid 4-[acetyl-(naphthalene-2-sulfonyl)-amino]-phenyl ester
CID 1098523
[4-(N-(4-methylphenyl)sulfonylanilino)phenyl] acetate
CID 2302739
Acetic acid [4-[acetyl-(4-chlorophenyl)sulfonylamino]-1-naphthalenyl] ester
CID 2835151
4-{Acetyl[(4-methoxy-3-nitrophenyl)sulfonyl]amino}-1-naphthyl acetate
CID 2945648
4-{Acetyl[(2,4-dimethylphenyl)sulfonyl]amino}-1-naphthyl acetate
CID 992521
N-isobutyryl-N-(4-methoxyphenyl)-2-naphthalenesulfonamide
CID 993464
Acetamide, N-[5-(acetyloxy)-1-naphthalenyl]-
CID 98853
Ebna1-IN-SC7
CID 1014327
Acetic acid 4-(acetyl-benzenesulfonyl-amino)-2-bromo-naphthalen-1-yl ester
CID 1098514
4-{Acetyl[(4-methylphenyl)sulfonyl]amino}-1-naphthyl acetate
CID 1183802

Frequently Asked Questions

What is the IUPAC name of [4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate?
The IUPAC name of [4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate (CID 1098513) is [4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate.
What is the SMILES notation for [4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate?
The canonical SMILES for [4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate is CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of [4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate?
The InChIKey is ZCHQDLYDNCVWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-14(22)21(27(24,25)16-8-4-3-5-9-16)19-12-13-20(26-15(2)23)18-11-7-6-10-17(18)19/h3-13H,1-2H3.
What are the key properties of [4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate?
[4-[acetyl(benzenesulfonyl)amino]naphthalen-1-yl] acetate has a molecular weight of 383.43 g/mol, XLogP of 3.51, 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]naphthalen-1-yl] acetate is sourced from PubChem (CID 1098513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).