4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

C17H17FN2O3S — CID 90535149

IUPAC4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H17FN2O3S/c1-20-11-15(14-4-2-3-5-16(14)20)17(21)10-19-24(22,23)13-8-6-12(18)7-9-13/h2-9,11,17,19,21H,10H2,1H3
InChIKeyZQCPUVJVULTLHK-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.33
Rot. Bonds5

About 4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (PubChem CID 90535149) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
PubChem CID90535149
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H17FN2O3S/c1-20-11-15(14-4-2-3-5-16(14)20)17(21)10-19-24(22,23)13-8-6-12(18)7-9-13/h2-9,11,17,19,21H,10H2,1H3
InChIKeyZQCPUVJVULTLHK-UHFFFAOYSA-N
XLogP2.33
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
N-[3-[(1R)-1-hydroxy-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethyl]phenyl]thiophene-2-sulfonamide
CID 44396532
1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
[1-(4-methylbenzyl)-1H-indol-3-yl]methanol
CID 900428
4-Dimethylamino-1-(toluene-4-sulfonyl)-1,3,4,5-tetrahydro-benzo[cd]indol-5-ol
CID 6918601
1-Benzenesulfonyl-3-(2-dimethylamino-ethyl)-1H-indol-5-ol
CID 9841077
4-Amino-1-(toluene-4-sulfonyl)-1,3,4,5-tetrahydro-benzo[cd]indol-5-ol
CID 44327527
(1S,2R)-1-(3-fluorophenyl)-1-(3-methyl-1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 44626374
(1S,2R)-1-(2-fluorophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483088
(1S,2R)-1-(3-ethyl-1H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 45483094
(1S,2R)-1-(3-fluorophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483095
(1S,2R)-1-(4-fluorophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483096

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (CID 90535149) is 4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is Cn1cc(C(O)CNS(=O)(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is ZQCPUVJVULTLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-20-11-15(14-4-2-3-5-16(14)20)17(21)10-19-24(22,23)13-8-6-12(18)7-9-13/h2-9,11,17,19,21H,10H2,1H3.
What are the key properties of 4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90535149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).