N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide

C10H15F2N3O4S — CID 114612444

IUPACN-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCOCCn1cc(S(N)(=O)=O)cc1C(=O)NCC(F)F
InChIInChI=1S/C10H15F2N3O4S/c1-19-3-2-15-6-7(20(13,17)18)4-8(15)10(16)14-5-9(11)12/h4,6,9H,2-3,5H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyVDJJVELAWOYGPV-UHFFFAOYSA-N
MW311.31 g/mol
LogP-0.22
Rot. Bonds7

About N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide

N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612444) has the molecular formula C10H15F2N3O4S and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612444
Molecular FormulaC10H15F2N3O4S
Molecular Weight311.31 g/mol
Exact Mass311.08
IUPAC NameN-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCOCCn1cc(S(N)(=O)=O)cc1C(=O)NCC(F)F
InChIInChI=1S/C10H15F2N3O4S/c1-19-3-2-15-6-7(20(13,17)18)4-8(15)10(16)14-5-9(11)12/h4,6,9H,2-3,5H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyVDJJVELAWOYGPV-UHFFFAOYSA-N
XLogP-0.22
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide (CID 114612444) is N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide is COCCn1cc(S(N)(=O)=O)cc1C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is VDJJVELAWOYGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O4S/c1-19-3-2-15-6-7(20(13,17)18)4-8(15)10(16)14-5-9(11)12/h4,6,9H,2-3,5H2,1H3,(H,14,16)(H2,13,17,18).
What are the key properties of N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide?
N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 311.31 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).