9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole

C33H22F2N2O2S — CID 66766253

IUPAC9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole
SMILESC=C(c1ccc2c(c1)c1ccc(C(=C)c3ccccc3F)nc1n2S(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C33H22F2N2O2S/c1-21(25-12-6-8-14-29(25)34)23-16-19-32-28(20-23)27-17-18-31(22(2)26-13-7-9-15-30(26)35)36-33(27)37(32)40(38,39)24-10-4-3-5-11-24/h3-20H,1-2H2
InChIKeyFSXAUTQOXAPQTP-UHFFFAOYSA-N
MW548.61 g/mol
LogP7.83
Rot. Bonds6

About 9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole

9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole (PubChem CID 66766253) has the molecular formula C33H22F2N2O2S and a molecular weight of 548.61 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole
PubChem CID66766253
Molecular FormulaC33H22F2N2O2S
Molecular Weight548.61 g/mol
Exact Mass548.14
IUPAC Name9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole
SMILESC=C(c1ccc2c(c1)c1ccc(C(=C)c3ccccc3F)nc1n2S(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C33H22F2N2O2S/c1-21(25-12-6-8-14-29(25)34)23-16-19-32-28(20-23)27-17-18-31(22(2)26-13-7-9-15-30(26)35)36-33(27)37(32)40(38,39)24-10-4-3-5-11-24/h3-20H,1-2H2
InChIKeyFSXAUTQOXAPQTP-UHFFFAOYSA-N
XLogP7.83
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.61
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(benzenesulfonyl)-2,6-bis[1-(3-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
CID 68735872
9-(benzenesulfonyl)-2-chloro-6-[1-(3-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
CID 87141047
9-(benzenesulfonyl)-3-chloro-6-(1-phenylethenyl)pyrido[2,3-b]indole
CID 66766097
9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
CID 87141046
1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole
CID 71659596
9-(benzenesulfonyl)-2-chloro-6-(3-nitrophenyl)pyrido[2,3-b]indole
CID 46186443
2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine
CID 58514526
7-(benzenesulfonyl)-4-chloro-6-methyl-2-phenylpyrrolo[2,3-d]pyrimidine
CID 59128311
9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-pentylpyrido[2,3-b]indole
CID 66766255
1-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]propan-2-one
CID 123717539
5-(benzenesulfonyl)-2-methyl-3-phenylpyrazino[2,3-b]indole
CID 132534929
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole (CID 66766253) is 9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole is C=C(c1ccc2c(c1)c1ccc(C(=C)c3ccccc3F)nc1n2S(=O)(=O)c1ccccc1)c1ccccc1F.
What is the InChIKey of 9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole?
The InChIKey is FSXAUTQOXAPQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F2N2O2S/c1-21(25-12-6-8-14-29(25)34)23-16-19-32-28(20-23)27-17-18-31(22(2)26-13-7-9-15-30(26)35)36-33(27)37(32)40(38,39)24-10-4-3-5-11-24/h3-20H,1-2H2.
What are the key properties of 9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole?
9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole has a molecular weight of 548.61 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 66766253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).