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

C17H17FN2O3S — CID 126584356

IUPAC4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](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/t11-/m0/s1
InChIKeyLBCABJJXNNTYOJ-NSHDSACASA-N
MW348.40 g/mol
LogP2.63
Rot. Bonds5

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

4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide (PubChem CID 126584356) 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-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
PubChem CID126584356
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](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/t11-/m0/s1
InChIKeyLBCABJJXNNTYOJ-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide (CID 126584356) is 4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide is C[C@@H](CO)NS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The InChIKey is LBCABJJXNNTYOJ-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of 4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
4-(6-fluoro-1H-indol-3-yl)-N-[(2S)-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-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 126584356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).