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

C11H13FN2O2S — CID 706551

IUPACN-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1=NCCC1
InChIInChI=1S/C11H13FN2O2S/c1-8-7-9(12)4-5-10(8)17(15,16)14-11-3-2-6-13-11/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyFHTDOSRQWRWUDT-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.60
Rot. Bonds2

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

N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 706551) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID706551
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC NameN-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1=NCCC1
InChIInChI=1S/C11H13FN2O2S/c1-8-7-9(12)4-5-10(8)17(15,16)14-11-3-2-6-13-11/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyFHTDOSRQWRWUDT-UHFFFAOYSA-N
XLogP1.60
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.60
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-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide (CID 706551) is N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC1=NCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is FHTDOSRQWRWUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-8-7-9(12)4-5-10(8)17(15,16)14-11-3-2-6-13-11/h4-5,7H,2-3,6H2,1H3,(H,13,14).
What are the key properties of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide?
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 256.30 g/mol, XLogP of 1.60, 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-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 706551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).