2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate

C17H19NO5S — CID 139957937

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate
SMILESCc1ccc(C)c(S(=O)(=O)NCCOC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C17H19NO5S/c1-12-3-4-13(2)16(11-12)24(21,22)18-9-10-23-17(20)14-5-7-15(19)8-6-14/h3-8,11,18-19H,9-10H2,1-2H3
InChIKeyFJTBHSPALLKZPW-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.14
Rot. Bonds6

About 2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate

2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate (PubChem CID 139957937) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate
PubChem CID139957937
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate
SMILESCc1ccc(C)c(S(=O)(=O)NCCOC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C17H19NO5S/c1-12-3-4-13(2)16(11-12)24(21,22)18-9-10-23-17(20)14-5-7-15(19)8-6-14/h3-8,11,18-19H,9-10H2,1-2H3
InChIKeyFJTBHSPALLKZPW-UHFFFAOYSA-N
XLogP2.14
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101162
ethyl 3-(3-aminopropylsulfamoyl)-4-methylbenzoate
CID 120706731
2-[(4-methylphenyl)sulfonylamino]ethyl 3-methyl-4-nitrobenzoate
CID 8002850
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
N-[3-(2-aminoethoxy)propyl]-2,5-dimethylbenzenesulfonamide
CID 106308141
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
N-[2-(4-bromophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113099742
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981526
ethyl 4-methyl-3-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716016

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate (CID 139957937) is 2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate is Cc1ccc(C)c(S(=O)(=O)NCCOC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate?
The InChIKey is FJTBHSPALLKZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12-3-4-13(2)16(11-12)24(21,22)18-9-10-23-17(20)14-5-7-15(19)8-6-14/h3-8,11,18-19H,9-10H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate?
2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate has a molecular weight of 349.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]ethyl 4-hydroxybenzoate is sourced from PubChem (CID 139957937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).