ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate

C16H18N2O5S — CID 108781343

IUPACethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NS(=O)(=O)c2ccc(OCC)cc2)c1
InChIInChI=1S/C16H18N2O5S/c1-3-22-13-5-7-14(8-6-13)24(20,21)18-15-11-12(9-10-17-15)16(19)23-4-2/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyVILHOYUQLDZXTR-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.46
Rot. Bonds7

About ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate

ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate (PubChem CID 108781343) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate
PubChem CID108781343
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Nameethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NS(=O)(=O)c2ccc(OCC)cc2)c1
InChIInChI=1S/C16H18N2O5S/c1-3-22-13-5-7-14(8-6-13)24(20,21)18-15-11-12(9-10-17-15)16(19)23-4-2/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyVILHOYUQLDZXTR-UHFFFAOYSA-N
XLogP2.46
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 7938305
ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylate
CID 110446568
ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
CID 108755527
(2-amino-2-oxoethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 25046962
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
CID 1308869
ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate
CID 108731941
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773036
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113046481
N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide
CID 115693688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate (CID 108781343) is ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NS(=O)(=O)c2ccc(OCC)cc2)c1.
What is the InChIKey of ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate?
The InChIKey is VILHOYUQLDZXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-3-22-13-5-7-14(8-6-13)24(20,21)18-15-11-12(9-10-17-15)16(19)23-4-2/h5-11H,3-4H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate?
ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate has a molecular weight of 350.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate is sourced from PubChem (CID 108781343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).