5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid

C8H7Cl2NO5S — CID 84760610

IUPAC5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid
SMILESCOc1cc(NS(=O)(=O)Cl)c(Cl)cc1C(=O)O
InChIInChI=1S/C8H7Cl2NO5S/c1-16-7-3-6(11-17(10,14)15)5(9)2-4(7)8(12)13/h2-3,11H,1H3,(H,12,13)
InChIKeyZHTZOVGRRGJSGM-UHFFFAOYSA-N
MW300.12 g/mol
LogP1.94
Rot. Bonds4

About 5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid

5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid (PubChem CID 84760610) has the molecular formula C8H7Cl2NO5S and a molecular weight of 300.12 g/mol. Its IUPAC name is 5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid
PubChem CID84760610
Molecular FormulaC8H7Cl2NO5S
Molecular Weight300.12 g/mol
Exact Mass298.94
IUPAC Name5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid
SMILESCOc1cc(NS(=O)(=O)Cl)c(Cl)cc1C(=O)O
InChIInChI=1S/C8H7Cl2NO5S/c1-16-7-3-6(11-17(10,14)15)5(9)2-4(7)8(12)13/h2-3,11H,1H3,(H,12,13)
InChIKeyZHTZOVGRRGJSGM-UHFFFAOYSA-N
XLogP1.94
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43405044
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5-chloro-2-methoxy-4-(3-methoxypropylsulfonylamino)benzoic acid
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5-chloro-2-methoxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
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5-chloro-2-methoxy-4-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
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5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 103018243
5-chloro-2-methoxy-4-(2-methylsulfonylpropanoylamino)benzoic acid
CID 104517466
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
4-chloro-5-chlorosulfonyl-2-methoxybenzoic acid
CID 10517227
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
4-[[2-(tert-butylamino)acetyl]amino]-5-chloro-2-methoxybenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid?
The IUPAC name of 5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid (CID 84760610) is 5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid.
What is the SMILES notation for 5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid?
The canonical SMILES for 5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid is COc1cc(NS(=O)(=O)Cl)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid?
The InChIKey is ZHTZOVGRRGJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO5S/c1-16-7-3-6(11-17(10,14)15)5(9)2-4(7)8(12)13/h2-3,11H,1H3,(H,12,13).
What are the key properties of 5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid?
5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid has a molecular weight of 300.12 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid is sourced from PubChem (CID 84760610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).