4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide

C18H17FN2O3S — CID 126574728

IUPAC4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCOC1)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H17FN2O3S/c19-13-3-6-16-17(10-20-18(16)9-13)12-1-4-15(5-2-12)25(22,23)21-14-7-8-24-11-14/h1-6,9-10,14,20-21H,7-8,11H2/t14-/m1/s1
InChIKeyCZKCKAFNBOJQNQ-CQSZACIVSA-N
MW360.41 g/mol
LogP3.04
Rot. Bonds4

About 4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide

4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide (PubChem CID 126574728) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide
PubChem CID126574728
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCOC1)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H17FN2O3S/c19-13-3-6-16-17(10-20-18(16)9-13)12-1-4-15(5-2-12)25(22,23)21-14-7-8-24-11-14/h1-6,9-10,14,20-21H,7-8,11H2/t14-/m1/s1
InChIKeyCZKCKAFNBOJQNQ-CQSZACIVSA-N
XLogP3.04
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-[(3R)-oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide (CID 126574728) is 4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCOC1)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide?
The InChIKey is CZKCKAFNBOJQNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c19-13-3-6-16-17(10-20-18(16)9-13)12-1-4-15(5-2-12)25(22,23)21-14-7-8-24-11-14/h1-6,9-10,14,20-21H,7-8,11H2/t14-/m1/s1.
What are the key properties of 4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide?
4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 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-[(3R)-oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 126574728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).