N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

C7H9F2N3O3S — CID 115408908

IUPACN-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1c[nH]c(C(=O)NCC(F)F)c1
InChIInChI=1S/C7H9F2N3O3S/c8-6(9)3-12-7(13)5-1-4(2-11-5)16(10,14)15/h1-2,6,11H,3H2,(H,12,13)(H2,10,14,15)
InChIKeyUFIWTBJYGBIDKZ-UHFFFAOYSA-N
MW253.23 g/mol
LogP-0.34
Rot. Bonds4

About N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 115408908) has the molecular formula C7H9F2N3O3S and a molecular weight of 253.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID115408908
Molecular FormulaC7H9F2N3O3S
Molecular Weight253.23 g/mol
Exact Mass253.03
IUPAC NameN-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1c[nH]c(C(=O)NCC(F)F)c1
InChIInChI=1S/C7H9F2N3O3S/c8-6(9)3-12-7(13)5-1-4(2-11-5)16(10,14)15/h1-2,6,11H,3H2,(H,12,13)(H2,10,14,15)
InChIKeyUFIWTBJYGBIDKZ-UHFFFAOYSA-N
XLogP-0.34
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 102915536
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918
N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375173
4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 65386759
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360
N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65380794
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
N-(1-cyclopropylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387153
N-(1-cyclopropylethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386253
N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386323
N-(2-methylcyclopropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386729
N-[(3E)-penta-1,3-dien-3-yl]-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 126493606

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 115408908) is N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is NS(=O)(=O)c1c[nH]c(C(=O)NCC(F)F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is UFIWTBJYGBIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O3S/c8-6(9)3-12-7(13)5-1-4(2-11-5)16(10,14)15/h1-2,6,11H,3H2,(H,12,13)(H2,10,14,15).
What are the key properties of N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 253.23 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115408908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).