methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

C16H20N2O6S — CID 22552088

IUPACmethyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)c1
InChIInChI=1S/C16H20N2O6S/c1-4-23-11-6-7-15(24-5-2)13(8-11)18-25(20,21)12-9-14(17-10-12)16(19)22-3/h6-10,17-18H,4-5H2,1-3H3
InChIKeyHYCLEPFAYWCODN-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.40
Rot. Bonds8

About methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 22552088) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID22552088
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Namemethyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)c1
InChIInChI=1S/C16H20N2O6S/c1-4-23-11-6-7-15(24-5-2)13(8-11)18-25(20,21)12-9-14(17-10-12)16(19)22-3/h6-10,17-18H,4-5H2,1-3H3
InChIKeyHYCLEPFAYWCODN-UHFFFAOYSA-N
XLogP2.40
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 22552088) is methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is CCOc1ccc(OCC)c(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)c1.
What is the InChIKey of methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is HYCLEPFAYWCODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c1-4-23-11-6-7-15(24-5-2)13(8-11)18-25(20,21)12-9-14(17-10-12)16(19)22-3/h6-10,17-18H,4-5H2,1-3H3.
What are the key properties of methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,5-diethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 22552088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).