methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

C14H16N2O4S — CID 22551913

IUPACmethyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1
InChIInChI=1S/C14H16N2O4S/c1-3-10-4-6-11(7-5-10)16-21(18,19)12-8-13(15-9-12)14(17)20-2/h4-9,15-16H,3H2,1-2H3
InChIKeyNMWRHGNQQFIYPO-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.16
Rot. Bonds5

About methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 22551913) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID22551913
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namemethyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1
InChIInChI=1S/C14H16N2O4S/c1-3-10-4-6-11(7-5-10)16-21(18,19)12-8-13(15-9-12)14(17)20-2/h4-9,15-16H,3H2,1-2H3
InChIKeyNMWRHGNQQFIYPO-UHFFFAOYSA-N
XLogP2.16
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 22551913) is methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is CCc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is NMWRHGNQQFIYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-3-10-4-6-11(7-5-10)16-21(18,19)12-8-13(15-9-12)14(17)20-2/h4-9,15-16H,3H2,1-2H3.
What are the key properties of methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 308.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 22551913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).