3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide

C18H13ClF2N2O3S — CID 2728398

IUPAC3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncccc1OCc1cc(F)cc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClF2N2O3S/c19-13-3-1-4-16(9-13)27(24,25)23-18-17(5-2-6-22-18)26-11-12-7-14(20)10-15(21)8-12/h1-10H,11H2,(H,22,23)
InChIKeyHUHLNVUMVVRJFA-UHFFFAOYSA-N
MW410.83 g/mol
LogP4.39
Rot. Bonds6

About 3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide

3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide (PubChem CID 2728398) has the molecular formula C18H13ClF2N2O3S and a molecular weight of 410.83 g/mol. Its IUPAC name is 3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide
PubChem CID2728398
Molecular FormulaC18H13ClF2N2O3S
Molecular Weight410.83 g/mol
Exact Mass410.03
IUPAC Name3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncccc1OCc1cc(F)cc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClF2N2O3S/c19-13-3-1-4-16(9-13)27(24,25)23-18-17(5-2-6-22-18)26-11-12-7-14(20)10-15(21)8-12/h1-10H,11H2,(H,22,23)
InChIKeyHUHLNVUMVVRJFA-UHFFFAOYSA-N
XLogP4.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]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-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide (CID 2728398) is 3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ncccc1OCc1cc(F)cc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide?
The InChIKey is HUHLNVUMVVRJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O3S/c19-13-3-1-4-16(9-13)27(24,25)23-18-17(5-2-6-22-18)26-11-12-7-14(20)10-15(21)8-12/h1-10H,11H2,(H,22,23).
What are the key properties of 3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide?
3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide has a molecular weight of 410.83 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 2728398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).