N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide

C23H23F3N2O3S — CID 135295539

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide
SMILESO=S(CCC(F)(F)F)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H23F3N2O3S/c24-23(25,26)11-13-32(30)27(16-18-6-5-12-31-18)14-17(29)15-28-21-9-3-1-7-19(21)20-8-2-4-10-22(20)28/h1-10,12,17,29H,11,13-16H2
InChIKeyAHPBRTFOQQVAFA-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.87
Rot. Bonds9

About N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide (PubChem CID 135295539) has the molecular formula C23H23F3N2O3S and a molecular weight of 464.51 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide
PubChem CID135295539
Molecular FormulaC23H23F3N2O3S
Molecular Weight464.51 g/mol
Exact Mass464.14
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide
SMILESO=S(CCC(F)(F)F)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H23F3N2O3S/c24-23(25,26)11-13-32(30)27(16-18-6-5-12-31-18)14-17(29)15-28-21-9-3-1-7-19(21)20-8-2-4-10-22(20)28/h1-10,12,17,29H,11,13-16H2
InChIKeyAHPBRTFOQQVAFA-UHFFFAOYSA-N
XLogP4.87
TPSA58.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide (CID 135295539) is N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide is O=S(CCC(F)(F)F)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide?
The InChIKey is AHPBRTFOQQVAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3S/c24-23(25,26)11-13-32(30)27(16-18-6-5-12-31-18)14-17(29)15-28-21-9-3-1-7-19(21)20-8-2-4-10-22(20)28/h1-10,12,17,29H,11,13-16H2.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide has a molecular weight of 464.51 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-3,3,3-trifluoro-N-(furan-2-ylmethyl)propane-1-sulfinamide is sourced from PubChem (CID 135295539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).