2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide

C11H10F2N2O2S — CID 106386078

IUPAC2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1cc(F)ccc1F
InChIInChI=1S/C11H10F2N2O2S/c12-9-1-2-10(13)11(5-9)18(16,17)15-7-8-3-4-14-6-8/h1-6,14-15H,7H2
InChIKeyPKJOJRBOOQLACG-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.77
Rot. Bonds4

About 2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide

2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide (PubChem CID 106386078) has the molecular formula C11H10F2N2O2S and a molecular weight of 272.28 g/mol. Its IUPAC name is 2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
PubChem CID106386078
Molecular FormulaC11H10F2N2O2S
Molecular Weight272.28 g/mol
Exact Mass272.04
IUPAC Name2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1cc(F)ccc1F
InChIInChI=1S/C11H10F2N2O2S/c12-9-1-2-10(13)11(5-9)18(16,17)15-7-8-3-4-14-6-8/h1-6,14-15H,7H2
InChIKeyPKJOJRBOOQLACG-UHFFFAOYSA-N
XLogP1.77
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386170
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
2-fluoro-4-nitro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386123
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 114182139
2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205165
5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide
CID 115119241
2,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883734
4-methoxy-2,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782776
2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207747
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782771

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide (CID 106386078) is 2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cc[nH]c1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The InChIKey is PKJOJRBOOQLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S/c12-9-1-2-10(13)11(5-9)18(16,17)15-7-8-3-4-14-6-8/h1-6,14-15H,7H2.
What are the key properties of 2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide has a molecular weight of 272.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106386078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).