[(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate

C23H23F2NO4S — CID 69091356

IUPAC[(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCCc2c1n([C@@H](C)c1ccc(F)cc1)c1c(S(C)(=O)=O)cc(F)cc21
InChIInChI=1S/C23H23F2NO4S/c1-13(15-7-9-16(24)10-8-15)26-22-18(5-4-6-20(22)30-14(2)27)19-11-17(25)12-21(23(19)26)31(3,28)29/h7-13,20H,4-6H2,1-3H3/t13-,20+/m0/s1
InChIKeyACEAWAFBHRMSFQ-RNODOKPDSA-N
MW447.50 g/mol
LogP4.87
Rot. Bonds4

About [(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate

[(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate (PubChem CID 69091356) has the molecular formula C23H23F2NO4S and a molecular weight of 447.50 g/mol. Its IUPAC name is [(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate
PubChem CID69091356
Molecular FormulaC23H23F2NO4S
Molecular Weight447.50 g/mol
Exact Mass447.13
IUPAC Name[(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCCc2c1n([C@@H](C)c1ccc(F)cc1)c1c(S(C)(=O)=O)cc(F)cc21
InChIInChI=1S/C23H23F2NO4S/c1-13(15-7-9-16(24)10-8-15)26-22-18(5-4-6-20(22)30-14(2)27)19-11-17(25)12-21(23(19)26)31(3,28)29/h7-13,20H,4-6H2,1-3H3/t13-,20+/m0/s1
InChIKeyACEAWAFBHRMSFQ-RNODOKPDSA-N
XLogP4.87
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 52944928
(9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate
CID 66967779
2-[(1R)-6-fluoro-8-methylsulfonyl-9-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydrocarbazol-1-yl]propanoic acid
CID 66967790
[(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate
CID 91191846
2-[(1R)-9-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 11386109
2-[(1R)-6-fluoro-8-(sulfinomethyl)-9-[(1S)-1-[4-[tris(phosphanyl)methyl]phenyl]ethyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 58120307
ethyl 2-[6-fluoro-9-(1-phenylethyl)-1,2,3,4-tetrahydrocarbazol-1-yl]acetate
CID 57082654
2-[7-[(1S)-1-(4-chlorophenyl)ethyl]-9-methylsulfonyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-5-yl]acetic acid
CID 11453277
methyl 2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetate
CID 50853310
(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl) acetate
CID 91605259
2-[(1R)-6,8-difluoro-9-[(4-methylsulfonylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetate
CID 86295145
2-[(1S)-6,8-difluoro-9-[(4-methylsulfonylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 6604920

Frequently Asked Questions

What is the IUPAC name of [(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate?
The IUPAC name of [(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate (CID 69091356) is [(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate.
What is the SMILES notation for [(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate?
The canonical SMILES for [(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate is CC(=O)O[C@@H]1CCCc2c1n([C@@H](C)c1ccc(F)cc1)c1c(S(C)(=O)=O)cc(F)cc21.
What is the InChIKey of [(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate?
The InChIKey is ACEAWAFBHRMSFQ-RNODOKPDSA-N. The full InChI is InChI=1S/C23H23F2NO4S/c1-13(15-7-9-16(24)10-8-15)26-22-18(5-4-6-20(22)30-14(2)27)19-11-17(25)12-21(23(19)26)31(3,28)29/h7-13,20H,4-6H2,1-3H3/t13-,20+/m0/s1.
What are the key properties of [(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate?
[(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate has a molecular weight of 447.50 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate is sourced from PubChem (CID 69091356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).