N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide

C18H17ClF3NO4S — CID 59492829

IUPACN-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide
SMILESCN(CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)S(C)(=O)=O
InChIInChI=1S/C18H17ClF3NO4S/c1-23(28(2,25)26)7-8-27-11-9-14-16(15(19)10-11)12-5-3-4-6-13(12)17(14,24)18(20,21)22/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyJTCOKPSUXXRXHE-UHFFFAOYSA-N
MW435.85 g/mol
LogP3.39
Rot. Bonds5

About N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide

N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide (PubChem CID 59492829) has the molecular formula C18H17ClF3NO4S and a molecular weight of 435.85 g/mol. Its IUPAC name is N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide
PubChem CID59492829
Molecular FormulaC18H17ClF3NO4S
Molecular Weight435.85 g/mol
Exact Mass435.05
IUPAC NameN-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide
SMILESCN(CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)S(C)(=O)=O
InChIInChI=1S/C18H17ClF3NO4S/c1-23(28(2,25)26)7-8-27-11-9-14-16(15(19)10-11)12-5-3-4-6-13(12)17(14,24)18(20,21)22/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyJTCOKPSUXXRXHE-UHFFFAOYSA-N
XLogP3.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.85
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide (CID 59492829) is N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide is CN(CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide?
The InChIKey is JTCOKPSUXXRXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO4S/c1-23(28(2,25)26)7-8-27-11-9-14-16(15(19)10-11)12-5-3-4-6-13(12)17(14,24)18(20,21)22/h3-6,9-10,24H,7-8H2,1-2H3.
What are the key properties of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide?
N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide has a molecular weight of 435.85 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 59492829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).