9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole

C24H17ClN2O3S — CID 46186693

IUPAC9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole
SMILESCOc1ccc(-c2ccc3c(c2)c2c(Cl)ccnc2n3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H17ClN2O3S/c1-30-18-10-7-16(8-11-18)17-9-12-22-20(15-17)23-21(25)13-14-26-24(23)27(22)31(28,29)19-5-3-2-4-6-19/h2-15H,1H3
InChIKeyYKFVHPVRMCFIQJ-UHFFFAOYSA-N
MW448.93 g/mol
LogP5.76
Rot. Bonds4

About 9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole

9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole (PubChem CID 46186693) has the molecular formula C24H17ClN2O3S and a molecular weight of 448.93 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole
PubChem CID46186693
Molecular FormulaC24H17ClN2O3S
Molecular Weight448.93 g/mol
Exact Mass448.06
IUPAC Name9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole
SMILESCOc1ccc(-c2ccc3c(c2)c2c(Cl)ccnc2n3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H17ClN2O3S/c1-30-18-10-7-16(8-11-18)17-9-12-22-20(15-17)23-21(25)13-14-26-24(23)27(22)31(28,29)19-5-3-2-4-6-19/h2-15H,1H3
InChIKeyYKFVHPVRMCFIQJ-UHFFFAOYSA-N
XLogP5.76
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.93
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[9-(benzenesulfonyl)-4-chloropyrido[2,3-b]indol-6-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 68738545
9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-pentylpyrido[2,3-b]indole
CID 66766255
9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
CID 87141046
9-(benzenesulfonyl)-3-chloro-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole;ethane
CID 143951058
4-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]phenol;ethane
CID 143951072
4-chloro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90226236
9-(benzenesulfonyl)-2-chloro-6-(3-nitrophenyl)pyrido[2,3-b]indole
CID 46186443
9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole
CID 88878835
9-(benzenesulfonyl)-2-chloro-6-[1-(3-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
CID 87141047
1-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazol-5-amine
CID 20873615
[1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol
CID 142660213
1-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-4,4-dimethoxycyclohexa-2,5-dien-1-ol
CID 11247697

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole?
The IUPAC name of 9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole (CID 46186693) is 9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole is COc1ccc(-c2ccc3c(c2)c2c(Cl)ccnc2n3S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole?
The InChIKey is YKFVHPVRMCFIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3S/c1-30-18-10-7-16(8-11-18)17-9-12-22-20(15-17)23-21(25)13-14-26-24(23)27(22)31(28,29)19-5-3-2-4-6-19/h2-15H,1H3.
What are the key properties of 9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole?
9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole has a molecular weight of 448.93 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 46186693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).