[(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate

C24H23ClFNO5S — CID 91191846

IUPAC[(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate
SMILESCCC(=O)O[C@@H]1CCCc2c1n([C@@H](C=O)c1ccc(Cl)cc1)c1c(S(C)(=O)=O)cc(F)cc21
InChIInChI=1S/C24H23ClFNO5S/c1-3-22(29)32-20-6-4-5-17-18-11-16(26)12-21(33(2,30)31)24(18)27(23(17)20)19(13-28)14-7-9-15(25)10-8-14/h7-13,19-20H,3-6H2,1-2H3/t19-,20+/m0/s1
InChIKeyHJPNISFVRLGIPV-VQTJNVASSA-N
MW491.97 g/mol
LogP4.96
Rot. Bonds6

About [(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate

[(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate (PubChem CID 91191846) has the molecular formula C24H23ClFNO5S and a molecular weight of 491.97 g/mol. Its IUPAC name is [(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate.

Molecular Properties

Compound Name[(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate
PubChem CID91191846
Molecular FormulaC24H23ClFNO5S
Molecular Weight491.97 g/mol
Exact Mass491.10
IUPAC Name[(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate
SMILESCCC(=O)O[C@@H]1CCCc2c1n([C@@H](C=O)c1ccc(Cl)cc1)c1c(S(C)(=O)=O)cc(F)cc21
InChIInChI=1S/C24H23ClFNO5S/c1-3-22(29)32-20-6-4-5-17-18-11-16(26)12-21(33(2,30)31)24(18)27(23(17)20)19(13-28)14-7-9-15(25)10-8-14/h7-13,19-20H,3-6H2,1-2H3/t19-,20+/m0/s1
InChIKeyHJPNISFVRLGIPV-VQTJNVASSA-N
XLogP4.96
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.97
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate 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

[(1R)-6-fluoro-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] acetate
CID 69091356
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-9-[(1S)-1-(4-fluorophenyl)ethyl]-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 52944928
methyl 2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetate
CID 50853310
2-[(1R)-6-fluoro-8-methylsulfonyl-9-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydrocarbazol-1-yl]propanoic acid
CID 66967790
2-[9-[(4-chlorophenyl)methyl]-6,8-difluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372497
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-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]propanoate
CID 23043096
2-[6,8-difluoro-9-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372514
methyl 2-[5-bromo-4-[(4-chlorophenyl)methyl]-7-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetate
CID 12968207
[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl] propanoate
CID 69414787
2-[6-bromo-9-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]butanoic acid
CID 67866802

Frequently Asked Questions

What is the IUPAC name of [(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate?
The IUPAC name of [(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate (CID 91191846) is [(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate.
What is the SMILES notation for [(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate?
The canonical SMILES for [(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate is CCC(=O)O[C@@H]1CCCc2c1n([C@@H](C=O)c1ccc(Cl)cc1)c1c(S(C)(=O)=O)cc(F)cc21.
What is the InChIKey of [(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate?
The InChIKey is HJPNISFVRLGIPV-VQTJNVASSA-N. The full InChI is InChI=1S/C24H23ClFNO5S/c1-3-22(29)32-20-6-4-5-17-18-11-16(26)12-21(33(2,30)31)24(18)27(23(17)20)19(13-28)14-7-9-15(25)10-8-14/h7-13,19-20H,3-6H2,1-2H3/t19-,20+/m0/s1.
What are the key properties of [(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate?
[(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate has a molecular weight of 491.97 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-9-[(1R)-1-(4-chlorophenyl)-2-oxoethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl] propanoate is sourced from PubChem (CID 91191846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).