N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide

C16H17FN2O3S — CID 123473488

IUPACN-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(O)Cn1c2ccccc2c2ccc(F)cc21
InChIInChI=1S/C16H17FN2O3S/c1-23(21,22)18-9-12(20)10-19-15-5-3-2-4-13(15)14-7-6-11(17)8-16(14)19/h2-8,12,18,20H,9-10H2,1H3
InChIKeyDMBQGZSBJYOQQF-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.84
Rot. Bonds5

About N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide

N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide (PubChem CID 123473488) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide
PubChem CID123473488
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(O)Cn1c2ccccc2c2ccc(F)cc21
InChIInChI=1S/C16H17FN2O3S/c1-23(21,22)18-9-12(20)10-19-15-5-3-2-4-13(15)14-7-6-11(17)8-16(14)19/h2-8,12,18,20H,9-10H2,1H3
InChIKeyDMBQGZSBJYOQQF-UHFFFAOYSA-N
XLogP1.84
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 154741332
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 1300584
1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
CID 175018901
N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide
CID 1098867
(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
CID 7721479
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 40774094
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
(2S)-2-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]amino]butan-1-ol
CID 962217
2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol
CID 6710542
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
1-carbazol-9-yl-3-(pyridin-2-ylamino)propan-2-ol
CID 134161940
(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7411148

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide?
The IUPAC name of N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide (CID 123473488) is N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide is CS(=O)(=O)NCC(O)Cn1c2ccccc2c2ccc(F)cc21.
What is the InChIKey of N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide?
The InChIKey is DMBQGZSBJYOQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-23(21,22)18-9-12(20)10-19-15-5-3-2-4-13(15)14-7-6-11(17)8-16(14)19/h2-8,12,18,20H,9-10H2,1H3.
What are the key properties of N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide?
N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide has a molecular weight of 336.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide is sourced from PubChem (CID 123473488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).