N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide

C14H18N2O3S — CID 71781612

IUPACN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCn1cccc1C(O)CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O3S/c1-16-9-5-8-13(16)14(17)10-15-20(18,19)11-12-6-3-2-4-7-12/h2-9,14-15,17H,10-11H2,1H3
InChIKeyLIMKPOKMTKCFLT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.18
Rot. Bonds6

About N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 71781612) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID71781612
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCn1cccc1C(O)CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O3S/c1-16-9-5-8-13(16)14(17)10-15-20(18,19)11-12-6-3-2-4-7-12/h2-9,14-15,17H,10-11H2,1H3
InChIKeyLIMKPOKMTKCFLT-UHFFFAOYSA-N
XLogP1.18
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide (CID 71781612) is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide is Cn1cccc1C(O)CNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is LIMKPOKMTKCFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16-9-5-8-13(16)14(17)10-15-20(18,19)11-12-6-3-2-4-7-12/h2-9,14-15,17H,10-11H2,1H3.
What are the key properties of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide?
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 71781612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).