ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate

C22H21N3O5S — CID 55706019

IUPACethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)nc1C
InChIInChI=1S/C22H21N3O5S/c1-3-30-22(27)19-12-13-20(23-15(19)2)21(26)24-16-8-7-9-17(14-16)25-31(28,29)18-10-5-4-6-11-18/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyOTQVOPQQRWDLJI-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.62
Rot. Bonds7

About ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55706019) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55706019
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Nameethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)nc1C
InChIInChI=1S/C22H21N3O5S/c1-3-30-22(27)19-12-13-20(23-15(19)2)21(26)24-16-8-7-9-17(14-16)25-31(28,29)18-10-5-4-6-11-18/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyOTQVOPQQRWDLJI-UHFFFAOYSA-N
XLogP3.62
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-methyl-6-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]pyridine-3-carboxylate
CID 55631134
ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate
CID 71763067
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562
ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631489
ethyl 6-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631526
ethyl 6-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55801513
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
N-[3-(benzenesulfonamido)phenyl]-2,3-dichlorobenzamide
CID 46474289
ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600436
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55675187

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate (CID 55706019) is ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)nc1C.
What is the InChIKey of ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is OTQVOPQQRWDLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-3-30-22(27)19-12-13-20(23-15(19)2)21(26)24-16-8-7-9-17(14-16)25-31(28,29)18-10-5-4-6-11-18/h4-14,25H,3H2,1-2H3,(H,24,26).
What are the key properties of ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 439.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55706019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).