2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

C17H16F2N2O3S — CID 90535170

IUPAC2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2cc(F)ccc2F)c2ccccc21
InChIInChI=1S/C17H16F2N2O3S/c1-21-10-13(12-4-2-3-5-15(12)21)16(22)9-20-25(23,24)17-8-11(18)6-7-14(17)19/h2-8,10,16,20,22H,9H2,1H3
InChIKeyILQPGDIRCQXVQG-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.47
Rot. Bonds5

About 2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (PubChem CID 90535170) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
PubChem CID90535170
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2cc(F)ccc2F)c2ccccc21
InChIInChI=1S/C17H16F2N2O3S/c1-21-10-13(12-4-2-3-5-15(12)21)16(22)9-20-25(23,24)17-8-11(18)6-7-14(17)19/h2-8,10,16,20,22H,9H2,1H3
InChIKeyILQPGDIRCQXVQG-UHFFFAOYSA-N
XLogP2.47
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (CID 90535170) is 2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is Cn1cc(C(O)CNS(=O)(=O)c2cc(F)ccc2F)c2ccccc21.
What is the InChIKey of 2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is ILQPGDIRCQXVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c1-21-10-13(12-4-2-3-5-15(12)21)16(22)9-20-25(23,24)17-8-11(18)6-7-14(17)19/h2-8,10,16,20,22H,9H2,1H3.
What are the key properties of 2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
2,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 366.39 g/mol, XLogP of 2.47, 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-methylindol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90535170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).