2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid

C10H11Cl2NO4S — CID 43263300

IUPAC2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid
SMILESCCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C10H11Cl2NO4S/c1-3-13(2)18(16,17)7-5-4-6(11)8(9(7)12)10(14)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyPKEBOSQWVXKOAT-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.33
Rot. Bonds4

About 2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid

2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid (PubChem CID 43263300) has the molecular formula C10H11Cl2NO4S and a molecular weight of 312.17 g/mol. Its IUPAC name is 2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid
PubChem CID43263300
Molecular FormulaC10H11Cl2NO4S
Molecular Weight312.17 g/mol
Exact Mass310.98
IUPAC Name2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid
SMILESCCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C10H11Cl2NO4S/c1-3-13(2)18(16,17)7-5-4-6(11)8(9(7)12)10(14)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyPKEBOSQWVXKOAT-UHFFFAOYSA-N
XLogP2.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid (CID 43263300) is 2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid is CCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl.
What is the InChIKey of 2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is PKEBOSQWVXKOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO4S/c1-3-13(2)18(16,17)7-5-4-6(11)8(9(7)12)10(14)15/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid?
2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 312.17 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43263300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).