2-methoxy-4-sulfamoylbenzoyl chloride

C8H8ClNO4S — CID 86142188

IUPAC2-methoxy-4-sulfamoylbenzoyl chloride
SMILESCOc1cc(S(N)(=O)=O)ccc1C(=O)Cl
InChIInChI=1S/C8H8ClNO4S/c1-14-7-4-5(15(10,12)13)2-3-6(7)8(9)11/h2-4H,1H3,(H2,10,12,13)
InChIKeyJISLMPYAPISBPX-UHFFFAOYSA-N
MW249.67 g/mol
LogP0.72
Rot. Bonds3

About 2-methoxy-4-sulfamoylbenzoyl chloride

2-methoxy-4-sulfamoylbenzoyl chloride (PubChem CID 86142188) has the molecular formula C8H8ClNO4S and a molecular weight of 249.67 g/mol. Its IUPAC name is 2-methoxy-4-sulfamoylbenzoyl chloride.

Molecular Properties

Compound Name2-methoxy-4-sulfamoylbenzoyl chloride
PubChem CID86142188
Molecular FormulaC8H8ClNO4S
Molecular Weight249.67 g/mol
Exact Mass248.99
IUPAC Name2-methoxy-4-sulfamoylbenzoyl chloride
SMILESCOc1cc(S(N)(=O)=O)ccc1C(=O)Cl
InChIInChI=1S/C8H8ClNO4S/c1-14-7-4-5(15(10,12)13)2-3-6(7)8(9)11/h2-4H,1H3,(H2,10,12,13)
InChIKeyJISLMPYAPISBPX-UHFFFAOYSA-N
XLogP0.72
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

CID 118692692
CID 118692692
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7890719
2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
CID 119171965
5-sulfamoyl-2-(trideuteriomethoxy)benzamide
CID 162641561
4-amino-3-(2-methoxyphenoxy)benzenesulfonamide
CID 82899200
methyl 2-bromo-5-sulfamoylbenzoate
CID 43828340

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-sulfamoylbenzoyl chloride?
The IUPAC name of 2-methoxy-4-sulfamoylbenzoyl chloride (CID 86142188) is 2-methoxy-4-sulfamoylbenzoyl chloride.
What is the SMILES notation for 2-methoxy-4-sulfamoylbenzoyl chloride?
The canonical SMILES for 2-methoxy-4-sulfamoylbenzoyl chloride is COc1cc(S(N)(=O)=O)ccc1C(=O)Cl.
What is the InChIKey of 2-methoxy-4-sulfamoylbenzoyl chloride?
The InChIKey is JISLMPYAPISBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4S/c1-14-7-4-5(15(10,12)13)2-3-6(7)8(9)11/h2-4H,1H3,(H2,10,12,13).
What are the key properties of 2-methoxy-4-sulfamoylbenzoyl chloride?
2-methoxy-4-sulfamoylbenzoyl chloride has a molecular weight of 249.67 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-sulfamoylbenzoyl chloride is sourced from PubChem (CID 86142188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).