3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid

C11H15NO5S — CID 16768421

IUPAC3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
SMILESCOCC(C)NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO5S/c1-8(7-17-2)12-18(15,16)10-5-3-4-9(6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyQSJOESZJYCRPLQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.70
Rot. Bonds6

About 3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid

3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid (PubChem CID 16768421) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
PubChem CID16768421
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
SMILESCOCC(C)NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO5S/c1-8(7-17-2)12-18(15,16)10-5-3-4-9(6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyQSJOESZJYCRPLQ-UHFFFAOYSA-N
XLogP0.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372085
3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 62732947
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472
3-[(1-carboxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 3476550
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
CID 109062923
3-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 54876161
methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate
CID 133235477
2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99988329
3-[[(2R)-butan-2-yl]sulfamoyl]-4-[[(2S)-1-methoxypropan-2-yl]amino]benzoic acid
CID 99977956
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
3-(butan-2-ylsulfamoyl)-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 132652557

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid (CID 16768421) is 3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid is COCC(C)NS(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
The InChIKey is QSJOESZJYCRPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8(7-17-2)12-18(15,16)10-5-3-4-9(6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14).
What are the key properties of 3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 16768421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).