2-[methoxy(methyl)sulfamoyl]benzoic acid

C9H11NO5S — CID 13140209

IUPAC2-[methoxy(methyl)sulfamoyl]benzoic acid
SMILESCON(C)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C9H11NO5S/c1-10(15-2)16(13,14)8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKeyFMNCOYKLIJNSBB-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.57
Rot. Bonds4

About 2-[methoxy(methyl)sulfamoyl]benzoic acid

2-[methoxy(methyl)sulfamoyl]benzoic acid (PubChem CID 13140209) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[methoxy(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[methoxy(methyl)sulfamoyl]benzoic acid
PubChem CID13140209
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name2-[methoxy(methyl)sulfamoyl]benzoic acid
SMILESCON(C)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C9H11NO5S/c1-10(15-2)16(13,14)8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKeyFMNCOYKLIJNSBB-UHFFFAOYSA-N
XLogP0.57
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263319
2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 55140299
2-iodo-N-methoxy-N-methylbenzenesulfonamide
CID 167792192
2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 79390718
2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 43374078
2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 82949234
2-[cycloheptyl(methyl)sulfamoyl]benzoic acid
CID 43613846
2-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzoic acid
CID 81059803
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid
CID 67904319
2-[1,1-difluoropropyl(methyl)sulfamoyl]benzoic acid
CID 142704998
5-bromo-3-[methoxy(methyl)sulfamoyl]-2-methylbenzoic acid
CID 139021803

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[methoxy(methyl)sulfamoyl]benzoic acid (CID 13140209) is 2-[methoxy(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[methoxy(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[methoxy(methyl)sulfamoyl]benzoic acid is CON(C)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methoxy(methyl)sulfamoyl]benzoic acid?
The InChIKey is FMNCOYKLIJNSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-10(15-2)16(13,14)8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12).
What are the key properties of 2-[methoxy(methyl)sulfamoyl]benzoic acid?
2-[methoxy(methyl)sulfamoyl]benzoic acid has a molecular weight of 245.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 13140209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).