ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

C15H16F2N2O4S — CID 53005250

IUPACethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cc(F)ccc2F)c1C
InChIInChI=1S/C15H16F2N2O4S/c1-4-23-15(20)13-8(2)14(9(3)18-13)24(21,22)19-12-7-10(16)5-6-11(12)17/h5-7,18-19H,4H2,1-3H3
InChIKeyKPEULLGLHGYAMN-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.89
Rot. Bonds5

About ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 53005250) has the molecular formula C15H16F2N2O4S and a molecular weight of 358.37 g/mol. Its IUPAC name is ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID53005250
Molecular FormulaC15H16F2N2O4S
Molecular Weight358.37 g/mol
Exact Mass358.08
IUPAC Nameethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cc(F)ccc2F)c1C
InChIInChI=1S/C15H16F2N2O4S/c1-4-23-15(20)13-8(2)14(9(3)18-13)24(21,22)19-12-7-10(16)5-6-11(12)17/h5-7,18-19H,4H2,1-3H3
InChIKeyKPEULLGLHGYAMN-UHFFFAOYSA-N
XLogP2.89
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 53005250) is ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cc(F)ccc2F)c1C.
What is the InChIKey of ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is KPEULLGLHGYAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4S/c1-4-23-15(20)13-8(2)14(9(3)18-13)24(21,22)19-12-7-10(16)5-6-11(12)17/h5-7,18-19H,4H2,1-3H3.
What are the key properties of ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 358.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,5-difluorophenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 53005250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).