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

C26H23FN2O4S — CID 165164659

IUPAC6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide
SMILESCN1c2ccc(S(N)(=O)=O)cc2C(C)(C)C12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2
InChIInChI=1S/C26H23FN2O4S/c1-25(2)21-15-20(34(28,31)32)9-10-22(21)29(3)26(25)13-12-17-14-18(6-11-23(17)33-26)24(30)16-4-7-19(27)8-5-16/h4-15H,1-3H3,(H2,28,31,32)
InChIKeyCWODQZFMHVQUPD-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.23
Rot. Bonds3

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

6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide (PubChem CID 165164659) has the molecular formula C26H23FN2O4S and a molecular weight of 478.55 g/mol. Its IUPAC name is 6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide.

Molecular Properties

Compound Name6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide
PubChem CID165164659
Molecular FormulaC26H23FN2O4S
Molecular Weight478.55 g/mol
Exact Mass478.14
IUPAC Name6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide
SMILESCN1c2ccc(S(N)(=O)=O)cc2C(C)(C)C12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2
InChIInChI=1S/C26H23FN2O4S/c1-25(2)21-15-20(34(28,31)32)9-10-22(21)29(3)26(25)13-12-17-14-18(6-11-23(17)33-26)24(30)16-4-7-19(27)8-5-16/h4-15H,1-3H3,(H2,28,31,32)
InChIKeyCWODQZFMHVQUPD-UHFFFAOYSA-N
XLogP4.23
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-Acetyl-2-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 16292713
5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide
CID 4138503
3-[(3,5-ditert-butyl-4-phenylmethoxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57065346
3-[(3-tert-butyl-4-phenylmethoxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 69416927
3-[(3-tert-butyl-4-methoxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 69419424
6-(4-Fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indoline]-5'-carbonitrile
CID 164823403
(3,3-dimethyl-5-methylsulfonylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone
CID 165164631
(3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone
CID 165164632
(3',3'-Dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone
CID 165164666
(6-Tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)-(4-fluorophenyl)methanone
CID 165164688
(4-Fluorophenyl)-(5'-isocyano-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)methanone
CID 165164697
6'-(4-fluorobenzoyl)-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-sulfonamide
CID 165164709

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide?
The IUPAC name of 6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide (CID 165164659) is 6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide.
What is the SMILES notation for 6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide?
The canonical SMILES for 6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide is CN1c2ccc(S(N)(=O)=O)cc2C(C)(C)C12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2.
What is the InChIKey of 6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide?
The InChIKey is CWODQZFMHVQUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4S/c1-25(2)21-15-20(34(28,31)32)9-10-22(21)29(3)26(25)13-12-17-14-18(6-11-23(17)33-26)24(30)16-4-7-19(27)8-5-16/h4-15H,1-3H3,(H2,28,31,32).
What are the key properties of 6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide?
6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide has a molecular weight of 478.55 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide is sourced from PubChem (CID 165164659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).