4-chloro-2-methoxy-5-sulfamoylbenzoic acid

C8H8ClNO5S — CID 11140041

IUPAC4-chloro-2-methoxy-5-sulfamoylbenzoic acid
SMILESCOc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C8H8ClNO5S/c1-15-6-3-5(9)7(16(10,13)14)2-4(6)8(11)12/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyLMXUPTBLYNTETM-UHFFFAOYSA-N
MW265.67 g/mol
LogP0.69
Rot. Bonds3

About 4-chloro-2-methoxy-5-sulfamoylbenzoic acid

4-chloro-2-methoxy-5-sulfamoylbenzoic acid (PubChem CID 11140041) has the molecular formula C8H8ClNO5S and a molecular weight of 265.67 g/mol. Its IUPAC name is 4-chloro-2-methoxy-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-chloro-2-methoxy-5-sulfamoylbenzoic acid
PubChem CID11140041
Molecular FormulaC8H8ClNO5S
Molecular Weight265.67 g/mol
Exact Mass264.98
IUPAC Name4-chloro-2-methoxy-5-sulfamoylbenzoic acid
SMILESCOc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C8H8ClNO5S/c1-15-6-3-5(9)7(16(10,13)14)2-4(6)8(11)12/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyLMXUPTBLYNTETM-UHFFFAOYSA-N
XLogP0.69
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-5-sulfamoylbenzoic acid?
The IUPAC name of 4-chloro-2-methoxy-5-sulfamoylbenzoic acid (CID 11140041) is 4-chloro-2-methoxy-5-sulfamoylbenzoic acid.
What is the SMILES notation for 4-chloro-2-methoxy-5-sulfamoylbenzoic acid?
The canonical SMILES for 4-chloro-2-methoxy-5-sulfamoylbenzoic acid is COc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 4-chloro-2-methoxy-5-sulfamoylbenzoic acid?
The InChIKey is LMXUPTBLYNTETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO5S/c1-15-6-3-5(9)7(16(10,13)14)2-4(6)8(11)12/h2-3H,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 4-chloro-2-methoxy-5-sulfamoylbenzoic acid?
4-chloro-2-methoxy-5-sulfamoylbenzoic acid has a molecular weight of 265.67 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-5-sulfamoylbenzoic acid is sourced from PubChem (CID 11140041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).