ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate

C15H14ClNO5S — CID 1228409

IUPACethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C15H14ClNO5S/c1-2-22-15(19)13-9-11(5-8-14(13)18)17-23(20,21)12-6-3-10(16)4-7-12/h3-9,17-18H,2H2,1H3
InChIKeyOWQSBDQKXCUBDO-UHFFFAOYSA-N
MW355.80 g/mol
LogP3.02
Rot. Bonds5

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

ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate (PubChem CID 1228409) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
PubChem CID1228409
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Nameethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C15H14ClNO5S/c1-2-22-15(19)13-9-11(5-8-14(13)18)17-23(20,21)12-6-3-10(16)4-7-12/h3-9,17-18H,2H2,1H3
InChIKeyOWQSBDQKXCUBDO-UHFFFAOYSA-N
XLogP3.02
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
CID 25094428
ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 38011078
ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate
CID 150284750
5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 25037422
ethyl 2-hydroxy-5-sulfamoylbenzoate
CID 21312229
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
N-(4-amino-3-hydroxyphenyl)-4-chlorobenzenesulfonamide
CID 174644822
methyl 2-hydroxy-5-[(4-nitrophenyl)sulfonylamino]benzoate
CID 142680079
ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate
CID 92685301
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate?
The IUPAC name of ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate (CID 1228409) is ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate.
What is the SMILES notation for ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate?
The canonical SMILES for ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate is CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O.
What is the InChIKey of ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate?
The InChIKey is OWQSBDQKXCUBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-2-22-15(19)13-9-11(5-8-14(13)18)17-23(20,21)12-6-3-10(16)4-7-12/h3-9,17-18H,2H2,1H3.
What are the key properties of ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate?
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate has a molecular weight of 355.80 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate is sourced from PubChem (CID 1228409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).