N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide

C10H11F2N2O2S+ — CID 7746181

IUPACN-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1=[NH+]CCC1)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2N2O2S/c11-7-3-4-9(8(12)6-7)17(15,16)14-10-2-1-5-13-10/h3-4,6H,1-2,5H2,(H,13,14)/p+1
InChIKeyFXUHDBWJJCGUOV-UHFFFAOYSA-O
MW261.27 g/mol
LogP-0.48
Rot. Bonds2

About N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide

N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 7746181) has the molecular formula C10H11F2N2O2S+ and a molecular weight of 261.27 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide
PubChem CID7746181
Molecular FormulaC10H11F2N2O2S+
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC NameN-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1=[NH+]CCC1)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2N2O2S/c11-7-3-4-9(8(12)6-7)17(15,16)14-10-2-1-5-13-10/h3-4,6H,1-2,5H2,(H,13,14)/p+1
InChIKeyFXUHDBWJJCGUOV-UHFFFAOYSA-O
XLogP-0.48
TPSA60.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide (CID 7746181) is N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide is O=S(=O)(NC1=[NH+]CCC1)c1ccc(F)cc1F.
What is the InChIKey of N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is FXUHDBWJJCGUOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10F2N2O2S/c11-7-3-4-9(8(12)6-7)17(15,16)14-10-2-1-5-13-10/h3-4,6H,1-2,5H2,(H,13,14)/p+1.
What are the key properties of N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide?
N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 261.27 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 7746181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).