4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid

C13H20N2O6S — CID 99981147

IUPAC4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
SMILESCOC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCO
InChIInChI=1S/C13H20N2O6S/c1-9(8-21-2)15-22(19,20)12-7-10(13(17)18)3-4-11(12)14-5-6-16/h3-4,7,9,14-16H,5-6,8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyIGOHIHHEVYTHSV-SECBINFHSA-N
MW332.38 g/mol
LogP0.10
Rot. Bonds9

About 4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid

4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid (PubChem CID 99981147) has the molecular formula C13H20N2O6S and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
PubChem CID99981147
Molecular FormulaC13H20N2O6S
Molecular Weight332.38 g/mol
Exact Mass332.10
IUPAC Name4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
SMILESCOC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCO
InChIInChI=1S/C13H20N2O6S/c1-9(8-21-2)15-22(19,20)12-7-10(13(17)18)3-4-11(12)14-5-6-16/h3-4,7,9,14-16H,5-6,8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyIGOHIHHEVYTHSV-SECBINFHSA-N
XLogP0.10
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid
CID 99981288
3-[[(2R)-butan-2-yl]sulfamoyl]-4-(2-hydroxyethylamino)benzoic acid
CID 99977847
4-(2-hydroxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid
CID 132651462
3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(prop-2-enylamino)benzoic acid
CID 99981112
3-[[(2R)-butan-2-yl]sulfamoyl]-4-[[(2S)-1-methoxypropan-2-yl]amino]benzoic acid
CID 99977956
3-(butan-2-ylsulfamoyl)-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 132652557
4-(1-methoxypropan-2-ylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 132651455
4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652558
4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99981122
3-(3-hydroxypropylsulfamoyl)-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 132652725
4-(2-methoxyethylamino)-3-(1-phenylethylsulfamoyl)benzoic acid
CID 132656810
4-(2-methoxyethylamino)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzoic acid
CID 99979186

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
The IUPAC name of 4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid (CID 99981147) is 4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid is COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCO.
What is the InChIKey of 4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
The InChIKey is IGOHIHHEVYTHSV-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O6S/c1-9(8-21-2)15-22(19,20)12-7-10(13(17)18)3-4-11(12)14-5-6-16/h3-4,7,9,14-16H,5-6,8H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid has a molecular weight of 332.38 g/mol, XLogP of 0.10, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 99981147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).