2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid

C13H19NO6S — CID 60951886

IUPAC2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
SMILESCOCC(C)N(C)S(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C13H19NO6S/c1-9(8-19-3)14(2)21(17,18)10-5-6-12(20-4)11(7-10)13(15)16/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyTYUWNNHLIFUGAC-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.05
Rot. Bonds7

About 2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid

2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid (PubChem CID 60951886) has the molecular formula C13H19NO6S and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
PubChem CID60951886
Molecular FormulaC13H19NO6S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
SMILESCOCC(C)N(C)S(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C13H19NO6S/c1-9(8-19-3)14(2)21(17,18)10-5-6-12(20-4)11(7-10)13(15)16/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyTYUWNNHLIFUGAC-UHFFFAOYSA-N
XLogP1.05
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
CID 43572047
3-bromo-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61059985
3-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 54876161
5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 43578680
2-methoxy-5-pentan-2-ylsulfonylbenzoic acid
CID 107890465
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
CID 103101553
5-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43323996
5-(2-ethylbutylsulfonyl)-2-methoxybenzoic acid
CID 82928650
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
CID 154206653
4-[1-methoxypropan-2-yl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60950388
3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455972

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid (CID 60951886) is 2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid is COCC(C)N(C)S(=O)(=O)c1ccc(OC)c(C(=O)O)c1.
What is the InChIKey of 2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid?
The InChIKey is TYUWNNHLIFUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6S/c1-9(8-19-3)14(2)21(17,18)10-5-6-12(20-4)11(7-10)13(15)16/h5-7,9H,8H2,1-4H3,(H,15,16).
What are the key properties of 2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid?
2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid has a molecular weight of 317.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 60951886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).