2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide

C13H14F2N2O3S — CID 90496306

IUPAC2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
SMILESCn1cccc1C(O)CNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N2O3S/c1-17-6-2-3-11(17)12(18)8-16-21(19,20)13-7-9(14)4-5-10(13)15/h2-7,12,16,18H,8H2,1H3
InChIKeyNDHVFRWLRJNZAF-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.32
Rot. Bonds5

About 2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide

2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide (PubChem CID 90496306) has the molecular formula C13H14F2N2O3S and a molecular weight of 316.33 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
PubChem CID90496306
Molecular FormulaC13H14F2N2O3S
Molecular Weight316.33 g/mol
Exact Mass316.07
IUPAC Name2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
SMILESCn1cccc1C(O)CNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N2O3S/c1-17-6-2-3-11(17)12(18)8-16-21(19,20)13-7-9(14)4-5-10(13)15/h2-7,12,16,18H,8H2,1H3
InChIKeyNDHVFRWLRJNZAF-UHFFFAOYSA-N
XLogP1.32
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide (CID 90496306) is 2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide is Cn1cccc1C(O)CNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is NDHVFRWLRJNZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3S/c1-17-6-2-3-11(17)12(18)8-16-21(19,20)13-7-9(14)4-5-10(13)15/h2-7,12,16,18H,8H2,1H3.
What are the key properties of 2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 316.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90496306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).