(9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate

C17H20FNO4S — CID 66967779

IUPAC(9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate
SMILESCCn1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCCC2OC(C)=O
InChIInChI=1S/C17H20FNO4S/c1-4-19-16-12(6-5-7-14(16)23-10(2)20)13-8-11(18)9-15(17(13)19)24(3,21)22/h8-9,14H,4-7H2,1-3H3
InChIKeyVORSGIZKTNAGIB-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.14
Rot. Bonds3

About (9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate

(9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate (PubChem CID 66967779) has the molecular formula C17H20FNO4S and a molecular weight of 353.42 g/mol. Its IUPAC name is (9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate.

Molecular Properties

Compound Name(9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate
PubChem CID66967779
Molecular FormulaC17H20FNO4S
Molecular Weight353.42 g/mol
Exact Mass353.11
IUPAC Name(9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate
SMILESCCn1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCCC2OC(C)=O
InChIInChI=1S/C17H20FNO4S/c1-4-19-16-12(6-5-7-14(16)23-10(2)20)13-8-11(18)9-15(17(13)19)24(3,21)22/h8-9,14H,4-7H2,1-3H3
InChIKeyVORSGIZKTNAGIB-UHFFFAOYSA-N
XLogP3.14
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate?
The IUPAC name of (9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate (CID 66967779) is (9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate.
What is the SMILES notation for (9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate?
The canonical SMILES for (9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate is CCn1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCCC2OC(C)=O.
What is the InChIKey of (9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate?
The InChIKey is VORSGIZKTNAGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S/c1-4-19-16-12(6-5-7-14(16)23-10(2)20)13-8-11(18)9-15(17(13)19)24(3,21)22/h8-9,14H,4-7H2,1-3H3.
What are the key properties of (9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate?
(9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate has a molecular weight of 353.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethyl-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate is sourced from PubChem (CID 66967779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).