N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide

C21H27FN2O2S — CID 155526866

IUPACN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C21H27FN2O2S/c1-2-3-4-5-14-27(25,26)23-20-10-11-21-18(15-20)12-13-24(21)16-17-6-8-19(22)9-7-17/h6-11,15,23H,2-5,12-14,16H2,1H3
InChIKeyMULHQIFAGHQJTK-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.71
Rot. Bonds9

About N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide

N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide (PubChem CID 155526866) has the molecular formula C21H27FN2O2S and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide
PubChem CID155526866
Molecular FormulaC21H27FN2O2S
Molecular Weight390.52 g/mol
Exact Mass390.18
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C21H27FN2O2S/c1-2-3-4-5-14-27(25,26)23-20-10-11-21-18(15-20)12-13-24(21)16-17-6-8-19(22)9-7-17/h6-11,15,23H,2-5,12-14,16H2,1H3
InChIKeyMULHQIFAGHQJTK-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide (CID 155526866) is N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide is CCCCCCS(=O)(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide?
The InChIKey is MULHQIFAGHQJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2S/c1-2-3-4-5-14-27(25,26)23-20-10-11-21-18(15-20)12-13-24(21)16-17-6-8-19(22)9-7-17/h6-11,15,23H,2-5,12-14,16H2,1H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide?
N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide has a molecular weight of 390.52 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide is sourced from PubChem (CID 155526866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).