N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide

C10H11FN2O2S — CID 2321602

IUPACN-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1=NCCC1)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2S/c11-8-3-5-9(6-4-8)16(14,15)13-10-2-1-7-12-10/h3-6H,1-2,7H2,(H,12,13)
InChIKeyCYDJOXKSKABQDT-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.30
Rot. Bonds2

About N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide

N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide (PubChem CID 2321602) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide
PubChem CID2321602
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC NameN-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1=NCCC1)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2S/c11-8-3-5-9(6-4-8)16(14,15)13-10-2-1-7-12-10/h3-6H,1-2,7H2,(H,12,13)
InChIKeyCYDJOXKSKABQDT-UHFFFAOYSA-N
XLogP1.30
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide (CID 2321602) is N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide is O=S(=O)(NC1=NCCC1)c1ccc(F)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide?
The InChIKey is CYDJOXKSKABQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c11-8-3-5-9(6-4-8)16(14,15)13-10-2-1-7-12-10/h3-6H,1-2,7H2,(H,12,13).
What are the key properties of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide?
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide has a molecular weight of 242.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2321602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).