4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

C21H25FN2O4S — CID 2125542

IUPAC4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCOCCCN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4S/c1-16-14-17-6-3-4-7-20(17)24(16)21(25)15-23(12-5-13-28-2)29(26,27)19-10-8-18(22)9-11-19/h3-4,6-11,16H,5,12-15H2,1-2H3/t16-/m1/s1
InChIKeyXZBIRABDRVIUJE-MRXNPFEDSA-N
MW420.51 g/mol
LogP2.83
Rot. Bonds8

About 4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 2125542) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID2125542
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC Name4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCOCCCN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4S/c1-16-14-17-6-3-4-7-20(17)24(16)21(25)15-23(12-5-13-28-2)29(26,27)19-10-8-18(22)9-11-19/h3-4,6-11,16H,5,12-15H2,1-2H3/t16-/m1/s1
InChIKeyXZBIRABDRVIUJE-MRXNPFEDSA-N
XLogP2.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]methanesulfonamide
CID 113149574
N-[(4-fluorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793142
N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100790983
4-ethoxy-N-ethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133180016
4-chloro-N-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179817
4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 125063411
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179803
N-benzyl-4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2545359
3,4-dimethoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 133179743
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
N-benzyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125049208
4-chloro-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100791923

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (CID 2125542) is 4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is COCCCN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is XZBIRABDRVIUJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-16-14-17-6-3-4-7-20(17)24(16)21(25)15-23(12-5-13-28-2)29(26,27)19-10-8-18(22)9-11-19/h3-4,6-11,16H,5,12-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 420.51 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 2125542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).