ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate

C15H18N2O5S — CID 127267091

IUPACethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)cc2)ccn1C
InChIInChI=1S/C15H18N2O5S/c1-4-22-15(18)14-13(9-10-17(14)2)16-23(19,20)12-7-5-11(21-3)6-8-12/h5-10,16H,4H2,1-3H3
InChIKeyHIMCIJJUPZPXAC-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.01
Rot. Bonds6

About ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate

ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate (PubChem CID 127267091) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate
PubChem CID127267091
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Nameethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)cc2)ccn1C
InChIInChI=1S/C15H18N2O5S/c1-4-22-15(18)14-13(9-10-17(14)2)16-23(19,20)12-7-5-11(21-3)6-8-12/h5-10,16H,4H2,1-3H3
InChIKeyHIMCIJJUPZPXAC-UHFFFAOYSA-N
XLogP2.01
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
ethyl 4-[2-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 17311460
N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide
CID 154073636
ethyl 5-[(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 5065328
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766
diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 7938305
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
ethyl N-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]carbamate
CID 9075807

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate (CID 127267091) is ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate is CCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)cc2)ccn1C.
What is the InChIKey of ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate?
The InChIKey is HIMCIJJUPZPXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-4-22-15(18)14-13(9-10-17(14)2)16-23(19,20)12-7-5-11(21-3)6-8-12/h5-10,16H,4H2,1-3H3.
What are the key properties of ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate?
ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 127267091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).