ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate

C16H17NO5S — CID 771992

IUPACethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H17NO5S/c1-3-22-16(18)14-6-4-5-7-15(14)17-23(19,20)13-10-8-12(21-2)9-11-13/h4-11,17H,3H2,1-2H3
InChIKeyWNYKCRPUNXMPSY-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.67
Rot. Bonds6

About ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate

ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 771992) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
PubChem CID771992
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Nameethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H17NO5S/c1-3-22-16(18)14-6-4-5-7-15(14)17-23(19,20)13-10-8-12(21-2)9-11-13/h4-11,17H,3H2,1-2H3
InChIKeyWNYKCRPUNXMPSY-UHFFFAOYSA-N
XLogP2.67
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
2-Amino-5-((4-methoxyphenyl)sulfamoyl)benzoic acid
CID 2357265
3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
2-[(3,4-Dimethoxyphenyl)sulfonylamino]benzamide
CID 778405
Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}benzoate
CID 629239
(2E)-3-(3-(((4-Methoxyphenyl)sulfonyl)amino)phenyl)-2-propenoic acid
CID 805419
2-Phenoxyethyl 2-aminobenzoate
CID 657660
Methyl 3-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylbenzoate
CID 1122589
5-(3-Carboxyphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
CID 58598755
4-(N-(2-acetylphenyl)sulfamoyl)phenyl pivalate
CID 118202506
[4-[(2-Formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118202509

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate (CID 771992) is ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate is CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is WNYKCRPUNXMPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-3-22-16(18)14-6-4-5-7-15(14)17-23(19,20)13-10-8-12(21-2)9-11-13/h4-11,17H,3H2,1-2H3.
What are the key properties of ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate?
ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate has a molecular weight of 335.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 771992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).