[4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate

C20H16BrNO5S — CID 1014327

IUPAC[4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate
SMILESCC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C20H16BrNO5S/c1-13(23)22(17-8-10-20(19(21)12-17)27-14(2)24)28(25,26)18-9-7-15-5-3-4-6-16(15)11-18/h3-12H,1-2H3
InChIKeySSARAOHVKXASDW-UHFFFAOYSA-N
MW462.32 g/mol
LogP4.27
Rot. Bonds4

About [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate

[4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate (PubChem CID 1014327) has the molecular formula C20H16BrNO5S and a molecular weight of 462.32 g/mol. Its IUPAC name is [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate.

Molecular Properties

Compound Name[4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate
PubChem CID1014327
Molecular FormulaC20H16BrNO5S
Molecular Weight462.32 g/mol
Exact Mass460.99
IUPAC Name[4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate
SMILESCC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C20H16BrNO5S/c1-13(23)22(17-8-10-20(19(21)12-17)27-14(2)24)28(25,26)18-9-7-15-5-3-4-6-16(15)11-18/h3-12H,1-2H3
InChIKeySSARAOHVKXASDW-UHFFFAOYSA-N
XLogP4.27
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] 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-(naphthalene-2-sulfonyl)-amino]-phenyl ester
CID 1098523
N-isobutyryl-N-(4-methoxyphenyl)-2-naphthalenesulfonamide
CID 993464
Acetic acid 4-(acetyl-benzenesulfonyl-amino)-naphthalen-1-yl ester
CID 1098513
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
2-[Acetyl(2-naphthylsulfonyl)amino]phenyl acetate
CID 1381616
Phenyl (3-bromo-4-((phenoxycarbonyl)oxy)phenyl)(naphthalen-2-ylsulfonyl)carbamate
CID 3289884
4-[N-(Benzenesulfonyl)butanamido]-2-bromophenyl butanoate
CID 1098518
2-[Butyryl(2-naphthylsulfonyl)amino]phenyl butyrate
CID 1381617
[2-(4-Bromo-2-fluoroanilino)-2-oxoethyl] 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetate
CID 23966300
(3,5-dibromo-4-fluorophenyl) 3-(N-(3,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanoate
CID 166354071
[4-[Acetyl-(4-methylphenyl)sulfonylamino]-2-bromonaphthalen-1-yl] acetate
CID 1098503

Frequently Asked Questions

What is the IUPAC name of [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate?
The IUPAC name of [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate (CID 1014327) is [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate.
What is the SMILES notation for [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate?
The canonical SMILES for [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate is CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc3ccccc3c2)cc1Br.
What is the InChIKey of [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate?
The InChIKey is SSARAOHVKXASDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO5S/c1-13(23)22(17-8-10-20(19(21)12-17)27-14(2)24)28(25,26)18-9-7-15-5-3-4-6-16(15)11-18/h3-12H,1-2H3.
What are the key properties of [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate?
[4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate has a molecular weight of 462.32 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate is sourced from PubChem (CID 1014327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).