2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate

C19H23NO5S — CID 139957940

IUPAC2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate
SMILESCC(COC(=O)c1ccc(O)cc1)NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H23NO5S/c1-13(2)15-6-10-18(11-7-15)26(23,24)20-14(3)12-25-19(22)16-4-8-17(21)9-5-16/h4-11,13-14,20-21H,12H2,1-3H3
InChIKeyAXOJXMHJBJPKPS-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.04
Rot. Bonds7

About 2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate

2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate (PubChem CID 139957940) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate
PubChem CID139957940
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate
SMILESCC(COC(=O)c1ccc(O)cc1)NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H23NO5S/c1-13(2)15-6-10-18(11-7-15)26(23,24)20-14(3)12-25-19(22)16-4-8-17(21)9-5-16/h4-11,13-14,20-21H,12H2,1-3H3
InChIKeyAXOJXMHJBJPKPS-UHFFFAOYSA-N
XLogP3.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyanomethyl 4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoate
CID 41143254
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate
CID 43476805
[3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate
CID 4843468
4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711635
(2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55475796
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
2-(3-methylphenoxy)ethyl 4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoate
CID 7829861
[2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 7828228
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoate
CID 46596027
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate
CID 46811420

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate?
The IUPAC name of 2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate (CID 139957940) is 2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate is CC(COC(=O)c1ccc(O)cc1)NS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate?
The InChIKey is AXOJXMHJBJPKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-13(2)15-6-10-18(11-7-15)26(23,24)20-14(3)12-25-19(22)16-4-8-17(21)9-5-16/h4-11,13-14,20-21H,12H2,1-3H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate?
2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate has a molecular weight of 377.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate is sourced from PubChem (CID 139957940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).