ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate

C16H18N2O4S — CID 4878822

IUPACethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC(C)c2ccccn2)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-16(19)13-7-9-14(10-8-13)23(20,21)18-12(2)15-6-4-5-11-17-15/h4-12,18H,3H2,1-2H3
InChIKeyXLJADXZFQKBZEA-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.30
Rot. Bonds6

About ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate

ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate (PubChem CID 4878822) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
PubChem CID4878822
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC(C)c2ccccn2)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-16(19)13-7-9-14(10-8-13)23(20,21)18-12(2)15-6-4-5-11-17-15/h4-12,18H,3H2,1-2H3
InChIKeyXLJADXZFQKBZEA-UHFFFAOYSA-N
XLogP2.30
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate
CID 9189690
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
(2S,3S)-2-[(4-ethoxycarbonylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 119126274
propyl 4-(1-pyridin-2-ylethylamino)benzoate
CID 43139647
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoate
CID 46596027
ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate
CID 55598192
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate?
The IUPAC name of ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate (CID 4878822) is ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate.
What is the SMILES notation for ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate?
The canonical SMILES for ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate is CCOC(=O)c1ccc(S(=O)(=O)NC(C)c2ccccn2)cc1.
What is the InChIKey of ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate?
The InChIKey is XLJADXZFQKBZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-22-16(19)13-7-9-14(10-8-13)23(20,21)18-12(2)15-6-4-5-11-17-15/h4-12,18H,3H2,1-2H3.
What are the key properties of ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate?
ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate has a molecular weight of 334.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate is sourced from PubChem (CID 4878822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).