3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide

C19H20ClF3N4O2S — CID 177005628

IUPAC3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide
SMILESCN1CCC[C@]12CCN(c1cc(F)c(S(=O)(=O)Nc3cccc(F)n3)c(F)c1Cl)C2
InChIInChI=1S/C19H20ClF3N4O2S/c1-26-8-3-6-19(26)7-9-27(11-19)13-10-12(21)18(17(23)16(13)20)30(28,29)25-15-5-2-4-14(22)24-15/h2,4-5,10H,3,6-9,11H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyFGAYCYYGRCRLLP-LJQANCHMSA-N
MW460.91 g/mol
LogP3.63
Rot. Bonds4

About 3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide

3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide (PubChem CID 177005628) has the molecular formula C19H20ClF3N4O2S and a molecular weight of 460.91 g/mol. Its IUPAC name is 3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide
PubChem CID177005628
Molecular FormulaC19H20ClF3N4O2S
Molecular Weight460.91 g/mol
Exact Mass460.09
IUPAC Name3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide
SMILESCN1CCC[C@]12CCN(c1cc(F)c(S(=O)(=O)Nc3cccc(F)n3)c(F)c1Cl)C2
InChIInChI=1S/C19H20ClF3N4O2S/c1-26-8-3-6-19(26)7-9-27(11-19)13-10-12(21)18(17(23)16(13)20)30(28,29)25-15-5-2-4-14(22)24-15/h2,4-5,10H,3,6-9,11H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyFGAYCYYGRCRLLP-LJQANCHMSA-N
XLogP3.63
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.91
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]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

3-chloro-4-[(3S,4R)-3-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-2,6-difluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 177005875
3-chloro-4-[(3R)-3-cyano-3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,6-difluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 177005598
3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(3S)-3-methoxy-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]benzenesulfonamide
CID 177005457
3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(3R,4S)-3-(3-methoxyazetidin-1-yl)-6-azaspiro[3.4]octan-6-yl]benzenesulfonamide
CID 177005535
4-[(3R)-3-[[tert-butyl(methyl)amino]methyl]-3-methoxypyrrolidin-1-yl]-3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 177005664
3-chloro-4-[3-[2-(dimethylamino)ethyl]-3-methylazetidin-1-yl]-2,6-difluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 178026247
4-[(3R,4S)-3-(2-azabicyclo[2.1.1]hexan-2-yl)-6-azaspiro[3.4]octan-6-yl]-3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 177005965
3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(3S,4S)-3-[(3R)-3-methoxypyrrolidin-1-yl]-6-azaspiro[3.4]octan-6-yl]benzenesulfonamide
CID 177005799
3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(3R)-3-methoxy-3-(1-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 177005401
3-chloro-4-[3-[2-(dimethylamino)ethyl]-3-methoxyazetidin-1-yl]-2,6-difluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 178026429
3-chloro-4-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,6-difluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 177006486
3-chloro-4-[(3S)-3-[[cyclobutyl(methyl)amino]methyl]pyrrolidin-1-yl]-2,6-difluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 177006296

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide (CID 177005628) is 3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide is CN1CCC[C@]12CCN(c1cc(F)c(S(=O)(=O)Nc3cccc(F)n3)c(F)c1Cl)C2.
What is the InChIKey of 3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide?
The InChIKey is FGAYCYYGRCRLLP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20ClF3N4O2S/c1-26-8-3-6-19(26)7-9-27(11-19)13-10-12(21)18(17(23)16(13)20)30(28,29)25-15-5-2-4-14(22)24-15/h2,4-5,10H,3,6-9,11H2,1H3,(H,24,25)/t19-/m1/s1.
What are the key properties of 3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide?
3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide has a molecular weight of 460.91 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-4-[(5R)-1-methyl-1,7-diazaspiro[4.4]nonan-7-yl]benzenesulfonamide is sourced from PubChem (CID 177005628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).