7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

C18H17FN2O2S — CID 146270808

IUPAC7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccc(F)cc42)CCNC3)cc1
InChIInChI=1S/C18H17FN2O2S/c1-12-2-5-14(6-3-12)24(22,23)21-17-10-13(19)4-7-15(17)16-8-9-20-11-18(16)21/h2-7,10,20H,8-9,11H2,1H3
InChIKeyAQHOATNYEWMYCK-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.97
Rot. Bonds2

About 7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 146270808) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID146270808
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccc(F)cc42)CCNC3)cc1
InChIInChI=1S/C18H17FN2O2S/c1-12-2-5-14(6-3-12)24(22,23)21-17-10-13(19)4-7-15(17)16-8-9-20-11-18(16)21/h2-7,10,20H,8-9,11H2,1H3
InChIKeyAQHOATNYEWMYCK-UHFFFAOYSA-N
XLogP2.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)sulfonyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 44567981
1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one
CID 18559050
2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132506395
7-fluoro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84620202
9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride
CID 73348100
2,6-dibromo-1-(4-methylphenyl)sulfonyl-3-(trifluoromethylselanyl)indole
CID 175472341
8-bromo-10-(4-methylphenyl)sulfonyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indole
CID 66603307
tert-butyl 8-bromo-6-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydroazepino[4,3-b]indole-2-carboxylate
CID 86649548
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
4-methyl-N-[3-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)propyl]aniline
CID 155519134
(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 903484

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 146270808) is 7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is Cc1ccc(S(=O)(=O)n2c3c(c4ccc(F)cc42)CCNC3)cc1.
What is the InChIKey of 7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is AQHOATNYEWMYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-12-2-5-14(6-3-12)24(22,23)21-17-10-13(19)4-7-15(17)16-8-9-20-11-18(16)21/h2-7,10,20H,8-9,11H2,1H3.
What are the key properties of 7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 344.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 146270808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).