methyl 2,4-dichloro-5-sulfamoylbenzoate

C8H7Cl2NO4S — CID 4582978

IUPACmethyl 2,4-dichloro-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NO4S/c1-15-8(12)4-2-7(16(11,13)14)6(10)3-5(4)9/h2-3H,1H3,(H2,11,13,14)
InChIKeyZXSGVNRCYQXHNK-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.43
Rot. Bonds2

About methyl 2,4-dichloro-5-sulfamoylbenzoate

methyl 2,4-dichloro-5-sulfamoylbenzoate (PubChem CID 4582978) has the molecular formula C8H7Cl2NO4S and a molecular weight of 284.12 g/mol. Its IUPAC name is methyl 2,4-dichloro-5-sulfamoylbenzoate.

Molecular Properties

Compound Namemethyl 2,4-dichloro-5-sulfamoylbenzoate
PubChem CID4582978
Molecular FormulaC8H7Cl2NO4S
Molecular Weight284.12 g/mol
Exact Mass282.95
IUPAC Namemethyl 2,4-dichloro-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NO4S/c1-15-8(12)4-2-7(16(11,13)14)6(10)3-5(4)9/h2-3H,1H3,(H2,11,13,14)
InChIKeyZXSGVNRCYQXHNK-UHFFFAOYSA-N
XLogP1.43
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dichloro-5-sulfamoylbenzoate?
The IUPAC name of methyl 2,4-dichloro-5-sulfamoylbenzoate (CID 4582978) is methyl 2,4-dichloro-5-sulfamoylbenzoate.
What is the SMILES notation for methyl 2,4-dichloro-5-sulfamoylbenzoate?
The canonical SMILES for methyl 2,4-dichloro-5-sulfamoylbenzoate is COC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of methyl 2,4-dichloro-5-sulfamoylbenzoate?
The InChIKey is ZXSGVNRCYQXHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO4S/c1-15-8(12)4-2-7(16(11,13)14)6(10)3-5(4)9/h2-3H,1H3,(H2,11,13,14).
What are the key properties of methyl 2,4-dichloro-5-sulfamoylbenzoate?
methyl 2,4-dichloro-5-sulfamoylbenzoate has a molecular weight of 284.12 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dichloro-5-sulfamoylbenzoate is sourced from PubChem (CID 4582978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).