3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide

C22H20FN3O3S — CID 158563427

IUPAC3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(NS(=O)(=O)c3cccc(F)c3)c1)=NC2
InChIInChI=1S/C22H20FN3O3S/c1-14(2)29-18-7-6-16-13-25-22(20(16)12-18)15-8-9-24-21(10-15)26-30(27,28)19-5-3-4-17(23)11-19/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyHRECKXXSFYKCBB-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.16
Rot. Bonds6

About 3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide

3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide (PubChem CID 158563427) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide
PubChem CID158563427
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(NS(=O)(=O)c3cccc(F)c3)c1)=NC2
InChIInChI=1S/C22H20FN3O3S/c1-14(2)29-18-7-6-16-13-25-22(20(16)12-18)15-8-9-24-21(10-15)26-30(27,28)19-5-3-4-17(23)11-19/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyHRECKXXSFYKCBB-UHFFFAOYSA-N
XLogP4.16
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

MRGPRX1 agonist 1
CID 139030531
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzenesulfonamide
CID 53312148
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-cyclopropyl-benzenesulfonamide
CID 67325548
6-methoxy-N-pyridin-2-ylnaphthalene-2-sulfonamide
CID 747350
N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2812532
4-Methoxy-naphthalene-1-sulfonic acid (3-methyl-pyridin-2-yl)-amide
CID 2992209
2-methoxy-5-propan-2-yl-N-(2-pyridinyl)benzenesulfonamide
CID 977116
4-ethoxy-N-(3-methylpyridin-2-yl)naphthalene-1-sulfonamide
CID 1073731
2,5-difluoro-N-(5-fluoropyridin-2-yl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 71717433
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzenesulfonamide
CID 53311066
N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide (CID 158563427) is 3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide is CC(C)Oc1ccc2c(c1)C(c1ccnc(NS(=O)(=O)c3cccc(F)c3)c1)=NC2.
What is the InChIKey of 3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is HRECKXXSFYKCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c1-14(2)29-18-7-6-16-13-25-22(20(16)12-18)15-8-9-24-21(10-15)26-30(27,28)19-5-3-4-17(23)11-19/h3-12,14H,13H2,1-2H3,(H,24,26).
What are the key properties of 3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide?
3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 425.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 158563427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).