6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide

C25H21FN2O4S — CID 165164709

IUPAC6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide
SMILESCC1(C)c2cc(S(N)(=O)=O)ccc2NC12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2
InChIInChI=1S/C25H21FN2O4S/c1-24(2)20-14-19(33(27,30)31)8-9-21(20)28-25(24)12-11-16-13-17(5-10-22(16)32-25)23(29)15-3-6-18(26)7-4-15/h3-14,28H,1-2H3,(H2,27,30,31)
InChIKeyHEHCXHZGKGWWMJ-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.21
Rot. Bonds3

About 6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide

6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide (PubChem CID 165164709) has the molecular formula C25H21FN2O4S and a molecular weight of 464.52 g/mol. Its IUPAC name is 6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide.

Molecular Properties

Compound Name6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide
PubChem CID165164709
Molecular FormulaC25H21FN2O4S
Molecular Weight464.52 g/mol
Exact Mass464.12
IUPAC Name6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide
SMILESCC1(C)c2cc(S(N)(=O)=O)ccc2NC12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2
InChIInChI=1S/C25H21FN2O4S/c1-24(2)20-14-19(33(27,30)31)8-9-21(20)28-25(24)12-11-16-13-17(5-10-22(16)32-25)23(29)15-3-6-18(26)7-4-15/h3-14,28H,1-2H3,(H2,27,30,31)
InChIKeyHEHCXHZGKGWWMJ-UHFFFAOYSA-N
XLogP4.21
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide?
The IUPAC name of 6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide (CID 165164709) is 6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide.
What is the SMILES notation for 6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide?
The canonical SMILES for 6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide is CC1(C)c2cc(S(N)(=O)=O)ccc2NC12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2.
What is the InChIKey of 6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide?
The InChIKey is HEHCXHZGKGWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4S/c1-24(2)20-14-19(33(27,30)31)8-9-21(20)28-25(24)12-11-16-13-17(5-10-22(16)32-25)23(29)15-3-6-18(26)7-4-15/h3-14,28H,1-2H3,(H2,27,30,31).
What are the key properties of 6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide?
6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide has a molecular weight of 464.52 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide is sourced from PubChem (CID 165164709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).