3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide

C16H17F2N3O2S — CID 35389075

IUPAC3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCCC2)nc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O2S/c17-13-7-14(18)9-15(8-13)24(22,23)20-11-12-3-4-16(19-10-12)21-5-1-2-6-21/h3-4,7-10,20H,1-2,5-6,11H2
InChIKeyIGKMMKBJIKVRTC-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.44
Rot. Bonds5

About 3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide

3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 35389075) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is 3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID35389075
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC Name3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCCC2)nc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O2S/c17-13-7-14(18)9-15(8-13)24(22,23)20-11-12-3-4-16(19-10-12)21-5-1-2-6-21/h3-4,7-10,20H,1-2,5-6,11H2
InChIKeyIGKMMKBJIKVRTC-UHFFFAOYSA-N
XLogP2.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]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 3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 35389075) is 3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(N2CCCC2)nc1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is IGKMMKBJIKVRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c17-13-7-14(18)9-15(8-13)24(22,23)20-11-12-3-4-16(19-10-12)21-5-1-2-6-21/h3-4,7-10,20H,1-2,5-6,11H2.
What are the key properties of 3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 353.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 35389075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).