2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid

C14H22N2O5S — CID 132651451

IUPAC2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
SMILESCCCC(C)NS(=O)(=O)c1ccc(NCCO)c(C(=O)O)c1
InChIInChI=1S/C14H22N2O5S/c1-3-4-10(2)16-22(20,21)11-5-6-13(15-7-8-17)12(9-11)14(18)19/h5-6,9-10,15-17H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyAEOMZJRXPSPPFJ-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.26
Rot. Bonds9

About 2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid

2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid (PubChem CID 132651451) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
PubChem CID132651451
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
SMILESCCCC(C)NS(=O)(=O)c1ccc(NCCO)c(C(=O)O)c1
InChIInChI=1S/C14H22N2O5S/c1-3-4-10(2)16-22(20,21)11-5-6-13(15-7-8-17)12(9-11)14(18)19/h5-6,9-10,15-17H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyAEOMZJRXPSPPFJ-UHFFFAOYSA-N
XLogP1.26
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid
CID 99982166
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397
2-(butylamino)-5-(propan-2-ylsulfamoyl)benzoic acid
CID 99981727
2-[2-(cyclohexen-1-yl)ethylamino]-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132659954
4-(2-hydroxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid
CID 132651462
2-(butylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99983490
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(3-propan-2-yloxypropylamino)benzoic acid
CID 99982395
5-(4-hydroxybutan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 83177838
5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid
CID 99987086
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
2-(2-methoxyethylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99986909
5-(hexan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 62199105

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid (CID 132651451) is 2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid is CCCC(C)NS(=O)(=O)c1ccc(NCCO)c(C(=O)O)c1.
What is the InChIKey of 2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid?
The InChIKey is AEOMZJRXPSPPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-3-4-10(2)16-22(20,21)11-5-6-13(15-7-8-17)12(9-11)14(18)19/h5-6,9-10,15-17H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid?
2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid has a molecular weight of 330.41 g/mol, XLogP of 1.26, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 132651451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).