2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate

C17H10Cl2NO4S- — CID 7042318

IUPAC2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate
SMILESO=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccccc23)c(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO4S/c18-13-9-14(19)16(8-12(13)17(21)22)25(23,24)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9,20H,(H,21,22)/p-1
InChIKeyBLOKKBJGKJFRLK-UHFFFAOYSA-M
MW395.24 g/mol
LogP3.31
Rot. Bonds4

About 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate

2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate (PubChem CID 7042318) has the molecular formula C17H10Cl2NO4S- and a molecular weight of 395.24 g/mol. Its IUPAC name is 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate
PubChem CID7042318
Molecular FormulaC17H10Cl2NO4S-
Molecular Weight395.24 g/mol
Exact Mass393.97
IUPAC Name2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate
SMILESO=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccccc23)c(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO4S/c18-13-9-14(19)16(8-12(13)17(21)22)25(23,24)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9,20H,(H,21,22)/p-1
InChIKeyBLOKKBJGKJFRLK-UHFFFAOYSA-M
XLogP3.31
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
CID 70133318
2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
CID 2368816
4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 99943737
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 2473332
N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide
CID 22888906
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 126414644
2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 2119292
(E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride
CID 22492487
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate?
The IUPAC name of 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate (CID 7042318) is 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate.
What is the SMILES notation for 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate?
The canonical SMILES for 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate is O=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccccc23)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate?
The InChIKey is BLOKKBJGKJFRLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H11Cl2NO4S/c18-13-9-14(19)16(8-12(13)17(21)22)25(23,24)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9,20H,(H,21,22)/p-1.
What are the key properties of 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate?
2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate has a molecular weight of 395.24 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate is sourced from PubChem (CID 7042318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).