4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide

C17H17FN2O3S — CID 126584383

IUPAC4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C17H17FN2O3S/c1-11(10-21)20-24(22,23)14-5-2-12(3-6-14)16-9-19-17-8-13(18)4-7-15(16)17/h2-9,11,19-21H,10H2,1H3
InChIKeyLBCABJJXNNTYOJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.63
Rot. Bonds5

About 4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide

4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 126584383) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID126584383
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C17H17FN2O3S/c1-11(10-21)20-24(22,23)14-5-2-12(3-6-14)16-9-19-17-8-13(18)4-7-15(16)17/h2-9,11,19-21H,10H2,1H3
InChIKeyLBCABJJXNNTYOJ-UHFFFAOYSA-N
XLogP2.63
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-fluoro-1H-indol-3-yl)-N-(3-hydroxy-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 126584259
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
4-[2-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]ethyl]morpholin-4-ium-4-carboxamide
CID 126574737
4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane
CID 145257869
[(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 126583952
N-[1-[3-(6-fluoro-1H-indol-3-yl)-1-methylpyrazol-4-yl]-3-hydroxypropyl]benzenesulfonamide
CID 140892910
3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide
CID 126574732
5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 122529278
1-(2,3-dihydroxypropyl)-4-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-one
CID 135285711
4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide
CID 140892882
(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 126584154
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 126584383) is 4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)NS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is LBCABJJXNNTYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-11(10-21)20-24(22,23)14-5-2-12(3-6-14)16-9-19-17-8-13(18)4-7-15(16)17/h2-9,11,19-21H,10H2,1H3.
What are the key properties of 4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 126584383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).