N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide

C23H23FN2O3S — CID 1300584

IUPACN-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O3S/c1-2-25(30(28,29)19-13-11-17(24)12-14-19)15-18(27)16-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,18,27H,2,15-16H2,1H3/t18-/m1/s1
InChIKeyQDEVWCZXVACUBB-GOSISDBHSA-N
MW426.51 g/mol
LogP4.01
Rot. Bonds7

About N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide

N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 1300584) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID1300584
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC NameN-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O3S/c1-2-25(30(28,29)19-13-11-17(24)12-14-19)15-18(27)16-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,18,27H,2,15-16H2,1H3/t18-/m1/s1
InChIKeyQDEVWCZXVACUBB-GOSISDBHSA-N
XLogP4.01
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 40774094
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 4282252
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 983501
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 983510
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1320921
N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 141074930
N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide
CID 71945776
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide
CID 123473488
N-(4-aminophenyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfonamide
CID 123344434
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide (CID 1300584) is N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide is CCN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is QDEVWCZXVACUBB-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-2-25(30(28,29)19-13-11-17(24)12-14-19)15-18(27)16-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,18,27H,2,15-16H2,1H3/t18-/m1/s1.
What are the key properties of N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide?
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 426.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 1300584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).